Geometry & MOs

Info

ID:

91308

PubChem CID:

49974993

Reduced:

ClN6O6C32H41 (1)

Stoich.:

AB6C6D32E41 (1)

Weight, g/mol:

654.293261

ΔHf, kcal/mol:

-248.28

Dipole, Da:

7.51

IP(EA), eV:

 -8.52(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(2-methylbutanoylamino)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=CC(=C(C=C4)NC(=O)C(C)C)Cl

DOS

IR

Vibrations