Geometry & MOs

Info

ID:	68033
PubChem CID:	46507633
Reduced:	F2N2O4H14C19 (1)
Stoich.:	A2B2C4D14E19 (1)
Weight, g/mol:	366.121572
ΔH_f, kcal/mol:	-147.55
Dipole, Da:	9.88
IP(EA), eV:	-8.93(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-[3-[(3-methoxyphenyl)carbamoyl]chromen-2-ylidene]amino] propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations