Geometry & MOs

Info

ID:	69268
PubChem CID:	46530549
Reduced:	F2N3O5H13C14 (1)
Stoich.:	A2B3C5D13E14 (1)
Weight, g/mol:	371.140055
ΔH_f, kcal/mol:	-274.17
Dipole, Da:	4.19
IP(EA), eV:	-8.79(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-methylphenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CN2C=CC(=O)NC2=O)OC(F)F

DOS

IR

Vibrations