Geometry & MOs

Info

ID:	60526
PubChem CID:	26697131
Reduced:	SN2O2C21H26 (1)
Stoich.:	AB2C2D21E26 (1)
Weight, g/mol:	410.113413
ΔH_f, kcal/mol:	-64.07
Dipole, Da:	3.01
IP(EA), eV:	-8.64(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@@H](CCSC)NC(=O)C2=CC=CC(=C2)C

DOS

IR

Vibrations