Geometry & MOs

Info

ID:	68035
PubChem CID:	46507637
Reduced:	ClN2O4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	384.087685
ΔH_f, kcal/mol:	-68.74
Dipole, Da:	6.06
IP(EA), eV:	-8.7(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-[3-[(2-chlorophenyl)carbamoyl]chromen-2-ylidene]amino] 2-methylpropanoate

Drug info:

PubChemData

Smile

CCCC(=O)O/N=C\1/C(=CC2=CC=CC=C2O1)C(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations