Geometry & MOs

Info

ID:

106562

PubChem CID:

50168568

Reduced:

O5N6C43H56 (1)

Stoich.:

A5B6C43D56 (1)

Weight, g/mol:

740.345296

ΔHf, kcal/mol:

-205.32

Dipole, Da:

8.75

IP(EA), eV:

 -8.22(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-benzamido-2-chlorophenyl)-1-[1-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC(=C5)C)C)C

DOS

IR

Vibrations