Geometry & MOs

Info

ID:

95475

PubChem CID:

50009621

Reduced:

N6O6C37H44 (1)

Stoich.:

A6B6C37D44 (1)

Weight, g/mol:

668.332233

ΔHf, kcal/mol:

-206.88

Dipole, Da:

10.61

IP(EA), eV:

 -8.36(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methoxy-4-[(3-methylbenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5C)OC

DOS

IR

Vibrations