Geometry & MOs

Info

ID:

116437

PubChem CID:

50560179

Reduced:

ClN5O5C35H40 (1)

Stoich.:

AB5C5D35E40 (1)

Weight, g/mol:

633.251811

ΔHf, kcal/mol:

-170.29

Dipole, Da:

12.47

IP(EA), eV:

 -8.34(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[4-[(2-fluorobenzoyl)amino]-3-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC4)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations