Geometry & MOs

Info

ID:	46904
PubChem CID:	10528271
Reduced:	SN4O8C19H24 (1)
Stoich.:	AB4C8D19E24 (1)
Weight, g/mol:	468.181789
ΔH_f, kcal/mol:	-311.7
Dipole, Da:	5.52
IP(EA), eV:	-9.71(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,3R,4R,6R,7S,8S,10S)-6-ethylsulfanyl-4-(hydroxymethyl)-1,10-dimethoxy-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-yl] benzoate

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=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNS(=O)(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)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=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNS(=O)(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):