Geometry & MOs

Info

ID:	213395
PubChem CID:	81063601
Reduced:	N3O4C10H13 (1)
Stoich.:	A3B4C10D13 (1)
Weight, g/mol:	272.046693
ΔH_f, kcal/mol:	-141.85
Dipole, Da:	3.27
IP(EA), eV:	-10.14(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(5-nitrothiophene-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=NNC(=O)C=C1

DOS

IR

Vibrations