Geometry & MOs

Info

ID:	268514
PubChem CID:	103599706
Reduced:	ClO2N4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	416.156992
ΔH_f, kcal/mol:	-45.15
Dipole, Da:	1.45
IP(EA), eV:	-9.09(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-[4-(dimethylsulfamoyl)phenyl]-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)NC3(CCCC3)C(=O)N)Cl

DOS

IR

Vibrations