Geometry & MOs

Info

ID:	68034
PubChem CID:	46507635
Reduced:	N2O5H18C20 (1)
Stoich.:	A2B5C18D20 (1)
Weight, g/mol:	384.087685
ΔH_f, kcal/mol:	-96.54
Dipole, Da:	5.35
IP(EA), eV:	-8.56(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)O/N=C\1/C(=CC2=CC=CC=C2O1)C(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations