Geometry & MOs

Info

ID:

94234

PubChem CID:

49999200

Reduced:

N6O6C37H52 (1)

Stoich.:

A6B6C37D52 (1)

Weight, g/mol:

629.394105

ΔHf, kcal/mol:

-259.34

Dipole, Da:

2.67

IP(EA), eV:

 -8.71(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-1-[1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations