Geometry & MOs

Info

ID:	134937
PubChem CID:	51786368
Reduced:	ClN2O2C30H35 (1)
Stoich.:	AB2C2D30E35 (1)
Weight, g/mol:	516.254356
ΔH_f, kcal/mol:	-67.29
Dipole, Da:	4.92
IP(EA), eV:	-9.04(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)C(=O)N(C2=CC=CC=C2Cl)[C@@H](C3=C(C=C(C=C3)C)C)C(=O)NC(C)(C)C

DOS

IR

Vibrations