Geometry & MOs

Info

ID:

105645

PubChem CID:

50135538

Reduced:

O5N6C34H48 (1)

Stoich.:

A5B6C34D48 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-227.42

Dipole, Da:

5.6

IP(EA), eV:

 -9.01(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C

DOS

IR

Vibrations