Geometry & MOs

Info

ID:	135153
PubChem CID:	51825273
Reduced:	SN2O4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	344.246378
ΔH_f, kcal/mol:	-140.2
Dipole, Da:	3.64
IP(EA), eV:	-8.97(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[tert-butyl(formyl)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)C(C)(C)C

DOS

IR

Vibrations