Geometry & MOs

Info

ID:

117568

PubChem CID:

50607791

Reduced:

ClN6O6C28H35 (1)

Stoich.:

AB6C6D28E35 (1)

Weight, g/mol:

614.225575

ΔHf, kcal/mol:

-241.21

Dipole, Da:

9.01

IP(EA), eV:

 -8.78(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-N-[2-[2-methoxy-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations