Geometry & MOs

Info

ID:	135309
PubChem CID:	51850777
Reduced:	Cl2N2O3C27H28 (1)
Stoich.:	A2B2C3D27E28 (1)
Weight, g/mol:	522.184084
ΔH_f, kcal/mol:	-85.68
Dipole, Da:	2.69
IP(EA), eV:	-8.83(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-N-cyclohexyl-2-(N-[2-(2,3-dichlorophenyl)acetyl]anilino)-3-phenylbutanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC(=CC=C1)OC)N(C2=CC=CC=C2)C(=O)CC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations