Geometry & MOs

Info

ID:

106769

PubChem CID:

50175632

Reduced:

O5N6C38H52 (1)

Stoich.:

A5B6C38D52 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-232.17

Dipole, Da:

11.26

IP(EA), eV:

 -8.68(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(2-chlorobenzoyl)amino]-4-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-4-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC(=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCCC5)C)C

DOS

IR

Vibrations