Geometry & MOs

Info

ID:	154002
PubChem CID:	56313362
Reduced:	S2N3O4C20H25 (1)
Stoich.:	A2B3C4D20E25 (1)
Weight, g/mol:	449.175084
ΔH_f, kcal/mol:	-120.79
Dipole, Da:	8.72
IP(EA), eV:	-8.28(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[methyl(propan-2-ylcarbamoyl)amino]phenyl] (E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)N3CCCC(C3)C(=O)N(C)C

DOS

IR

Vibrations