Geometry & MOs

Info

ID:	322859
PubChem CID:	126671481
Reduced:	ClN3O4C24H36 (1)
Stoich.:	AB3C4D24E36 (1)
Weight, g/mol:	456.273656
ΔH_f, kcal/mol:	-219.31
Dipole, Da:	4.93
IP(EA), eV:	-9.3(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-cyanophenyl)ethyl]-1-[2-(2,2-dimethylpropanoylamino)-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)NC(=O)C2CC(CN2C(=O)C(C(C)(C)C)NC(=O)C(C)(C)C)O

DOS

IR

Vibrations