Geometry & MOs

Info

ID:	182234
PubChem CID:	76861934
Reduced:	NO2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	426.197714
ΔH_f, kcal/mol:	-120.79
Dipole, Da:	3.47
IP(EA), eV:	-8.58(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(4-ethylphenyl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CC(O2)C)C=CC(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations