Geometry & MOs

Info

ID:

107663

PubChem CID:

50213643

Reduced:

ClO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

658.384269

ΔHf, kcal/mol:

-216.48

Dipole, Da:

5.2

IP(EA), eV:

 -9.04(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-carbamoyl-2-methylphenyl)-1-[1-[1-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations