Geometry & MOs

Info

ID:

107824

PubChem CID:

50220120

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-203.85

Dipole, Da:

7.08

IP(EA), eV:

 -8.88(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C(=O)N(C)C)C

DOS

IR

Vibrations