Geometry & MOs

Info

ID:

108071

PubChem CID:

50229014

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-224.76

Dipole, Da:

11.87

IP(EA), eV:

 -8.62(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(3-fluorobenzoyl)amino]-4-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC)C)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations