Geometry & MOs

Info

ID:	135741
PubChem CID:	51924904
Reduced:	NSO6C22H27 (1)
Stoich.:	ABC6D22E27 (1)
Weight, g/mol:	433.155909
ΔH_f, kcal/mol:	-196.34
Dipole, Da:	8.02
IP(EA), eV:	-8.87(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(2,3,4-trimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)CC(=O)N(CC2=CC=CC=C2)[C@@H]3CCS(=O)(=O)C3)OC)OC

DOS

IR

Vibrations