Geometry & MOs

Info

ID:	159462
PubChem CID:	57280251
Reduced:	NO4C21H29 (1)
Stoich.:	AB4C21D29 (1)
Weight, g/mol:	324.041607
ΔH_f, kcal/mol:	-172.03
Dipole, Da:	5.65
IP(EA), eV:	-9.01(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-nitrophenyl)sulfonyl-1H-pyrrol-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(CCOC1=C(C2=C(C=C1)C(=O)CCC2)CC=C)N

DOS

IR

Vibrations