Geometry & MOs

Info

ID:

104445

PubChem CID:

50104299

Reduced:

ClN6O6C33H43 (1)

Stoich.:

AB6C6D33E43 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-250.35

Dipole, Da:

4.74

IP(EA), eV:

 -9.2(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations