Geometry & MOs

Info

ID:

95153

PubChem CID:

50006691

Reduced:

O5N6C37H54 (1)

Stoich.:

A5B6C37D54 (1)

Weight, g/mol:

714.390497

ΔHf, kcal/mol:

-247.83

Dipole, Da:

4.2

IP(EA), eV:

 -8.22(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-[(2-fluorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC(C)CC)C

DOS

IR

Vibrations