Geometry & MOs

Info

ID:

115521

PubChem CID:

50526267

Reduced:

ClFN6O6C36H42 (1)

Stoich.:

ABC6D6E36F42 (1)

Weight, g/mol:

708.283839

ΔHf, kcal/mol:

-263.89

Dipole, Da:

10.93

IP(EA), eV:

 -8.42(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[3-[(3-fluorobenzoyl)amino]-4-methoxyanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations