Geometry & MOs

Info

ID:	338422
PubChem CID:	127259114
Reduced:	SO2N3C7H9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	290.92978
ΔH_f, kcal/mol:	-51.49
Dipole, Da:	2.23
IP(EA), eV:	-8.99(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-chlorophenyl)carbamoyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCSC1=NC=CC(=N1)N

DOS

IR

Vibrations