Geometry & MOs

Info

ID:	158366
PubChem CID:	56463517
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	429.066442
ΔH_f, kcal/mol:	-145.47
Dipole, Da:	9.46
IP(EA), eV:	-8.97(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-5-methoxy-2-nitro-4-(1,3-thiazol-4-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)CC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2

DOS

IR

Vibrations