Geometry & MOs

Info

ID:	134966
PubChem CID:	51790577
Reduced:	ClSN2O4C26H33 (1)
Stoich.:	ABC2D4E26F33 (1)
Weight, g/mol:	418.238706
ΔH_f, kcal/mol:	-161.3
Dipole, Da:	8.03
IP(EA), eV:	-9.65(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N(C1=CC=CC=C1Cl)[C@H](C2CCCCC2)C(=O)NCS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations