Geometry & MOs

Info

ID:	62732
PubChem CID:	26736393
Reduced:	N2O2S2H20C23 (1)
Stoich.:	A2B2C2D20E23 (1)
Weight, g/mol:	400.070463
ΔH_f, kcal/mol:	20.37
Dipole, Da:	3.86
IP(EA), eV:	-8.45(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CC2=C(N=C(S2)C3=CC=CC=C3)C4=CC=CS4

DOS

IR

Vibrations