Geometry & MOs

Info

ID:	134645
PubChem CID:	51733630
Reduced:	ClN2O2C32H37 (1)
Stoich.:	AB2C2D32E37 (1)
Weight, g/mol:	516.254356
ΔH_f, kcal/mol:	-54.73
Dipole, Da:	4.61
IP(EA), eV:	-9.22(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)C(=O)N(C2=CC(=CC=C2)Cl)[C@H]([C@@H](C)C3=CC=CC=C3)C(=O)NC4CCCCC4

DOS

IR

Vibrations