Geometry & MOs

Info

ID:	153777
PubChem CID:	56313088
Reduced:	FN3O3C26H30 (1)
Stoich.:	AB3C3D26E30 (1)
Weight, g/mol:	467.131506
ΔH_f, kcal/mol:	-118.03
Dipole, Da:	2.6
IP(EA), eV:	-9.45(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCC(CC2)NC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations