Geometry & MOs

Info

ID:

91305

PubChem CID:

49974986

Reduced:

ClN6O6C29H35 (1)

Stoich.:

AB6C6D29E35 (1)

Weight, g/mol:

640.277611

ΔHf, kcal/mol:

-228.75

Dipole, Da:

6.7

IP(EA), eV:

 -8.95(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-chloro-2-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations