Geometry & MOs

Info

ID:	62737
PubChem CID:	26736480
Reduced:	SN2O4H24C25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	478.192629
ΔH_f, kcal/mol:	-111.32
Dipole, Da:	5.14
IP(EA), eV:	-9.0(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(3-ethylphenyl)benzamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations