Geometry & MOs

Info

ID:	337714
PubChem CID:	127258337
Reduced:	ClNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	230.065119
ΔH_f, kcal/mol:	-116.48
Dipole, Da:	8.08
IP(EA), eV:	-8.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(2-amino-2-oxoethoxy)imino-N-carbamoyl-3-oxobutanamide

Drug info:

PubChemData

Smile

CCO/C=C(\C(=O)C)/C(=O)NC1=C(C=CC(=C1)Cl)C

DOS

IR

Vibrations