Geometry & MOs

Info

ID:

94277

PubChem CID:

49999345

Reduced:

O5N6C43H62 (1)

Stoich.:

A5B6C43D62 (1)

Weight, g/mol:

629.394105

ΔHf, kcal/mol:

-261.05

Dipole, Da:

3.09

IP(EA), eV:

 -8.17(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5CCCCC5)C

DOS

IR

Vibrations