Geometry & MOs

Info

ID:	277526
PubChem CID:	103829210
Reduced:	BrNSO4H22C24 (1)
Stoich.:	ABCD4E22F24 (1)
Weight, g/mol:	408.99834
ΔH_f, kcal/mol:	-95.69
Dipole, Da:	4.89
IP(EA), eV:	-8.92(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromothiophen-2-yl)-2-[cyclopropyl(phenylmethoxycarbonyl)amino]acetic acid

Drug info:

PubChemData

Smile

CCCN(C(C1=C(C=CS1)Br)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations