Geometry & MOs

Info

ID:	182275
PubChem CID:	76869684
Reduced:	SN2F3O4C18H19 (1)
Stoich.:	AB2C3D4E18F19 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	-268.95
Dipole, Da:	3.92
IP(EA), eV:	-9.47(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-3-(2-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC1=CC(=CC=C1)OC(F)F)NS(=O)(=O)C2=CC=CC=C2F

DOS

IR

Vibrations