Geometry & MOs

Info

ID:	240492
PubChem CID:	93580950
Reduced:	NSO7C24H31 (1)
Stoich.:	ABC7D24E31 (1)
Weight, g/mol:	477.182124
ΔH_f, kcal/mol:	-242.97
Dipole, Da:	3.45
IP(EA), eV:	-8.19(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2S)-3-[(3,4-dimethoxyphenyl)methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OC[C@@H](CN(CC2=CC(=C(C=C2)OC)OC)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations