Geometry & MOs

Info

ID:	134635
PubChem CID:	51732353
Reduced:	ClN2O2C28H37 (1)
Stoich.:	AB2C2D28E37 (1)
Weight, g/mol:	508.285656
ΔH_f, kcal/mol:	-107.47
Dipole, Da:	3.27
IP(EA), eV:	-9.3(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[3-chloro-N-(3-cyclohexylpropanoyl)anilino]-N-cyclohexyl-3-phenylbutanamide

Drug info:

PubChemData

Smile

CCCCC[C@@H](C(=O)NC1CCCCC1)N(C2=CC(=CC=C2)Cl)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations