Geometry & MOs

Info

ID:

117874

PubChem CID:

50618605

Reduced:

ClN6O6C34H39 (1)

Stoich.:

AB6C6D34E39 (1)

Weight, g/mol:

650.241974

ΔHf, kcal/mol:

-214.73

Dipole, Da:

10.14

IP(EA), eV:

 -8.4(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[1-[4-[(2-fluorobenzoyl)amino]-3-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)NC(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations