Geometry & MOs

Info

ID:

117545

PubChem CID:

50606972

Reduced:

ClN6O6C32H35 (1)

Stoich.:

AB6C6D32E35 (1)

Weight, g/mol:

622.210674

ΔHf, kcal/mol:

-204.37

Dipole, Da:

8.22

IP(EA), eV:

 -8.42(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-N-[3-[4-[(2-fluorobenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations