Geometry & MOs

Info

ID:

106687

PubChem CID:

50172727

Reduced:

ClN6O7C33H41 (1)

Stoich.:

AB6C7D33E41 (1)

Weight, g/mol:

666.293261

ΔHf, kcal/mol:

-265.04

Dipole, Da:

7.74

IP(EA), eV:

 -8.91(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations