Geometry & MOs

Info

ID:

94411

PubChem CID:

50000824

Reduced:

ClN6O6C40H53 (1)

Stoich.:

AB6C6D40E53 (1)

Weight, g/mol:

746.392247

ΔHf, kcal/mol:

-266.57

Dipole, Da:

5.86

IP(EA), eV:

 -8.95(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C(=O)N6CCOCC6)Cl

DOS

IR

Vibrations