Geometry & MOs

Info

ID:

102828

PubChem CID:

50070031

Reduced:

ClO5N6C43H47 (1)

Stoich.:

AB5C6D43E47 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-156.58

Dipole, Da:

4.84

IP(EA), eV:

 -8.58(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(dimethylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)C(=O)NC6=CC=CC=C6C

DOS

IR

Vibrations