Geometry & MOs

Info

ID:	158475
PubChem CID:	56463772
Reduced:	O2N5C23H27 (1)
Stoich.:	A2B5C23D27 (1)
Weight, g/mol:	408.11775
ΔH_f, kcal/mol:	48.08
Dipole, Da:	5.44
IP(EA), eV:	-9.1(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonylethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)NC(C3=NC(=NO3)C4CC4)C(C)C

DOS

IR

Vibrations