Geometry & MOs

Info

ID:	58376
PubChem CID:	24698075
Reduced:	ON3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	273.022642
ΔH_f, kcal/mol:	60.41
Dipole, Da:	2.46
IP(EA), eV:	-8.91(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-chloroanilino)-2-oxoethyl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2OC3=NC=C(C=C3)C(=N)N

DOS

IR

Vibrations