Geometry & MOs

Info

ID:	135183
PubChem CID:	51830567
Reduced:	SN2O5C24H32 (1)
Stoich.:	AB2C5D24E32 (1)
Weight, g/mol:	374.256943
ΔH_f, kcal/mol:	-187.48
Dipole, Da:	8.16
IP(EA), eV:	-9.2(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[tert-butyl-(2-hydroxyacetyl)amino]-N-cyclohexyl-3-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)[C@H]([C@H](C)C2=CC=CC=C2)N(C(=O)CO)C(C)(C)C

DOS

IR

Vibrations