Geometry & MOs

Info

ID:	39822
PubChem CID:	8142508
Reduced:	OSN2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	32.56
Dipole, Da:	3.85
IP(EA), eV:	-9.19(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(Z)-4-(3,4-dimethylanilino)-4-oxobut-2-enoyl]amino]acetic acid

Drug info:

PubChemData

Smile

C=CCN1C(=O)SCC(=N1)C2=CC=CC=C2

DOS

IR

Vibrations