Geometry & MOs

Info

ID:	182259
PubChem CID:	76865670
Reduced:	FOSN3H18C19 (1)
Stoich.:	ABCD3E18F19 (1)
Weight, g/mol:	387.069592
ΔH_f, kcal/mol:	-31.09
Dipole, Da:	5.17
IP(EA), eV:	-8.7(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-methoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2NC3C(C(=C(S3)C)C4=CC=C(C=C4)F)C(=O)N2

DOS

IR

Vibrations