Geometry & MOs

Info

ID:

120357

PubChem CID:

50724043

Reduced:

ClO4N5C31H34 (1)

Stoich.:

AB4C5D31E34 (1)

Weight, g/mol:

593.22051

ΔHf, kcal/mol:

-124.92

Dipole, Da:

6.67

IP(EA), eV:

 -8.69(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations