Geometry & MOs

Info

ID:	250120
PubChem CID:	103094302
Reduced:	ClOSN4H7C9 (1)
Stoich.:	ABCD4E7F9 (1)
Weight, g/mol:	243.041069
ΔH_f, kcal/mol:	28.1
Dipole, Da:	3.72
IP(EA), eV:	-9.2(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-[(3-chloropyridin-2-yl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)NC(=O)C2=CSC(=N2)N)Cl

DOS

IR

Vibrations