Geometry & MOs

Info

ID:

96382

PubChem CID:

50020300

Reduced:

N5O6C32H45 (1)

Stoich.:

A5B6C32D45 (1)

Weight, g/mol:

700.374847

ΔHf, kcal/mol:

-245.56

Dipole, Da:

6.41

IP(EA), eV:

 -8.21(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-[[2-(4-fluorophenyl)acetyl]amino]-3-methylanilino]-1-oxopropan-2-yl]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)NC(C)C(=O)NC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations