Geometry & MOs

Info

ID:

112282

PubChem CID:

50400318

Reduced:

ClFO5N6C40H42 (1)

Stoich.:

ABC5D6E40F42 (1)

Weight, g/mol:

732.376597

ΔHf, kcal/mol:

-198.21

Dipole, Da:

8.39

IP(EA), eV:

 -8.69(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)Cl)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations