Geometry & MOs

Info

ID:	244134
PubChem CID:	99319089
Reduced:	SF2N3O4C21H23 (1)
Stoich.:	AB2C3D4E21F23 (1)
Weight, g/mol:	413.155098
ΔH_f, kcal/mol:	-220.51
Dipole, Da:	4.36
IP(EA), eV:	-9.91(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoyl]amino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

C1CCC(C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations