Geometry & MOs

Info

ID:	63864
PubChem CID:	26759349
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-132.79
Dipole, Da:	5.9
IP(EA), eV:	-9.37(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[C@H](C)C3=CC=CC=C3

DOS

IR

Vibrations