Geometry & MOs

Info

ID:	60561
PubChem CID:	26697192
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	444.074441
ΔH_f, kcal/mol:	-69.64
Dipole, Da:	4.77
IP(EA), eV:	-8.58(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(4-ethylphenyl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)CC=C)OC

DOS

IR

Vibrations