Geometry & MOs

Info

ID:

94343

PubChem CID:

49999798

Reduced:

O5N6C43H60 (1)

Stoich.:

A5B6C43D60 (1)

Weight, g/mol:

728.426134

ΔHf, kcal/mol:

-243.16

Dipole, Da:

3.96

IP(EA), eV:

 -8.79(-0.23)

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-[2-methyl-4-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6C)C)C

DOS

IR

Vibrations