Geometry & MOs

Info

ID:

92325

PubChem CID:

49985122

Reduced:

N6O6C39H56 (1)

Stoich.:

A6B6C39D56 (1)

Weight, g/mol:

718.405398

ΔHf, kcal/mol:

-270.76

Dipole, Da:

8.04

IP(EA), eV:

 -8.76(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methoxy-5-(morpholine-4-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NCC(C)C)OC

DOS

IR

Vibrations