Geometry & MOs

Info

ID:	138253
PubChem CID:	52334312
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	358.121483
ΔH_f, kcal/mol:	-3.86
Dipole, Da:	5.63
IP(EA), eV:	-8.84(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-2-(3,4-dichlorophenyl)-2-methylpropanamide

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)CO/N=C(/C2=CSC=C2)\N

DOS

IR

Vibrations