Geometry & MOs

Info

ID:

91535

PubChem CID:

49976684

Reduced:

N6O6C37H50 (1)

Stoich.:

A6B6C37D50 (1)

Weight, g/mol:

648.363533

ΔHf, kcal/mol:

-251.19

Dipole, Da:

2.53

IP(EA), eV:

 -8.92(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-methyl-6-(2-methylpropylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC(=C2NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C)C

DOS

IR

Vibrations