Geometry & MOs

Info

ID:	69313
PubChem CID:	46530642
Reduced:	SF2N3O4C21H21 (1)
Stoich.:	AB2C3D4E21F21 (1)
Weight, g/mol:	387.125277
ΔH_f, kcal/mol:	-221.89
Dipole, Da:	4.81
IP(EA), eV:	-8.5(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylsulfonylmethyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C4=C(S3)CCCC4)OC(F)F

DOS

IR

Vibrations