Geometry & MOs

Info

ID:	137336
PubChem CID:	52191889
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	358.171499
ΔH_f, kcal/mol:	-70.04
Dipole, Da:	10.02
IP(EA), eV:	-9.13(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(2R)-4-methyl-1-oxo-1-[[(1R)-1-thiophen-2-ylethyl]amino]pentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)N[C@@H](C2CC2)C3=CC=CC=C3

DOS

IR

Vibrations