Geometry & MOs

Info

ID:	134643
PubChem CID:	51733152
Reduced:	ClN2O3C26H35 (1)
Stoich.:	AB2C3D26E35 (1)
Weight, g/mol:	516.254356
ΔH_f, kcal/mol:	-136.26
Dipole, Da:	1.44
IP(EA), eV:	-9.17(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC[C@@H](CC)C(=O)N(C1=CC(=CC=C1)Cl)[C@@H](C2=CC=C(C=C2)O)C(=O)NCCCC

DOS

IR

Vibrations