Geometry & MOs

Info

ID:

112536

PubChem CID:

50410731

Reduced:

N6O6C35H50 (1)

Stoich.:

A6B6C35D50 (1)

Weight, g/mol:

690.410483

ΔHf, kcal/mol:

-264.92

Dipole, Da:

13.92

IP(EA), eV:

 -8.6(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[2-methoxy-5-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC(C)C)OC)C

DOS

IR

Vibrations