Geometry & MOs

Info

ID:	392963
PubChem CID:	135018707
Reduced:	ClSN2O2H13C16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	747.336709
ΔH_f, kcal/mol:	67.5
Dipole, Da:	6.19
IP(EA), eV:	-8.76(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5S)-2-[[(5R)-2-(dimethylamino)-4-methoxy-6-(phenylmethoxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-yl]oxy]-5-hydroxy-3-(phenylmethoxycarbonylamino)-6-(phenylmethoxymethyl)oxan-4-yl] acetate

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=CC=C(C=C1)N2[C@H]([C@H](C2=S)[N+](=O)[O-])C3=CC=CC=C3Cl

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=CC=C(C=C1)N2[C@H]([C@H](C2=S)[N+](=O)[O-])C3=CC=CC=C3Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):