Geometry & MOs

Info

ID:	382968
PubChem CID:	134974426
Reduced:	NSO2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	1068.388547
ΔH_f, kcal/mol:	-4.09
Dipole, Da:	4.77
IP(EA), eV:	-7.45(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-4-[4-[[(2S,5R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2S,5S)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-methyloxan-2-yl]oxyoxan-2-yl]sulfanylmethyl]triazol-1-yl]-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC2=C(C(=C1)OC)N=[S+]([C@@H]3[C@H]2CC3)(C4=CC=CC=C4)[O-]

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC2=C(C(=C1)OC)N=[S+]([C@@H]3[C@H]2CC3)(C4=CC=CC=C4)[O-]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):