Geometry & MOs

Info

ID:

105892

PubChem CID:

50141114

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

696.363533

ΔHf, kcal/mol:

-214.41

Dipole, Da:

10.39

IP(EA), eV:

 -8.92(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)C)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N4CCCC4)C

DOS

IR

Vibrations