Geometry & MOs

Info

ID:	68029
PubChem CID:	46507628
Reduced:	FNO2H8C10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	386.107813
ΔH_f, kcal/mol:	-152.01
Dipole, Da:	7.5
IP(EA), eV:	-8.96(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-[3-[(3,4-difluorophenyl)carbamoyl]chromen-2-ylidene]amino] butanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations