Geometry & MOs

Info

ID:	196636
PubChem CID:	78856995
Reduced:	FSN2O4C14H21 (1)
Stoich.:	ABC2D4E14F21 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-210.08
Dipole, Da:	5.86
IP(EA), eV:	-9.71(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxypropan-2-yl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide

Drug info:

PubChemData

Smile

CC(CO)NC(=O)CCCN(C)S(=O)(=O)C1=CC=C(C=C1)F

DOS

IR

Vibrations