Geometry & MOs

Info

ID:

96290

PubChem CID:

50019612

Reduced:

N3O3C19H24 (2)

Stoich.:

A3B3C19D24 (2)

Weight, g/mol:

688.338461

ΔHf, kcal/mol:

-216.52

Dipole, Da:

4.47

IP(EA), eV:

 -8.7(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[4-[(3-fluorobenzoyl)amino]-3-methoxyanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC(=C4)C)OC

DOS

IR

Vibrations