Geometry & MOs

Info

ID:	154710
PubChem CID:	56314217
Reduced:	N3O3S3C20H23 (1)
Stoich.:	A3B3C3D20E23 (1)
Weight, g/mol:	431.200905
ΔH_f, kcal/mol:	-39.97
Dipole, Da:	5.37
IP(EA), eV:	-8.25(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCC(C3=CC=CS3)N(C)C

DOS

IR

Vibrations