Geometry & MOs

Info

ID:

105958

PubChem CID:

50144313

Reduced:

ClN6O6C34H45 (1)

Stoich.:

AB6C6D34E45 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-250.08

Dipole, Da:

9.57

IP(EA), eV:

 -8.93(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations