Geometry & MOs

Info

ID:	60550
PubChem CID:	26697174
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	416.101763
ΔH_f, kcal/mol:	3.85
Dipole, Da:	3.94
IP(EA), eV:	-8.33(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)/C=C/C2=C(N(N=C2C)C)C

DOS

IR

Vibrations