Geometry & MOs

Info

ID:

119917

PubChem CID:

50707089

Reduced:

ClN6O6C39H47 (1)

Stoich.:

AB6C6D39E47 (1)

Weight, g/mol:

728.308911

ΔHf, kcal/mol:

-221.31

Dipole, Da:

10.99

IP(EA), eV:

 -8.59(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NCC(C)C)OC

DOS

IR

Vibrations