Geometry & MOs

Info

ID:

110635

PubChem CID:

50333371

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

750.410483

ΔHf, kcal/mol:

-221.1

Dipole, Da:

10.09

IP(EA), eV:

 -8.73(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methoxy-3-[(4-methylbenzoyl)amino]phenyl]-1-[1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCCCC5)F

DOS

IR

Vibrations