Geometry & MOs

Info

ID:

114130

PubChem CID:

50472902

Reduced:

O5N6C42H54 (1)

Stoich.:

A5B6C42D54 (1)

Weight, g/mol:

694.384269

ΔHf, kcal/mol:

-208.03

Dipole, Da:

8.69

IP(EA), eV:

 -8.73(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(butan-2-ylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations