Geometry & MOs

Info

ID:	174180
PubChem CID:	75735246
Reduced:	ClN2O3C27H35 (1)
Stoich.:	AB2C3D27E35 (1)
Weight, g/mol:	448.308979
ΔH_f, kcal/mol:	-120.13
Dipole, Da:	7.98
IP(EA), eV:	-9.22(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylbutanamide

Drug info:

PubChemData

Smile

CC(C)(C)N(C(C1=CC=C(C=C1)Cl)C(=O)NC2CCCCC2)C(=O)C(C3=CC=CC=C3)OC

DOS

IR

Vibrations