Geometry & MOs

Info

ID:

94603

PubChem CID:

50002617

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

668.368619

ΔHf, kcal/mol:

-226.67

Dipole, Da:

6.93

IP(EA), eV:

 -8.98(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[2-methyl-6-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)N4CCCC(C4)C

DOS

IR

Vibrations