Geometry & MOs

Info

ID:

115078

PubChem CID:

50508012

Reduced:

ClFO5N6C37H42 (1)

Stoich.:

ABC5D6E37F42 (1)

Weight, g/mol:

609.19096

ΔHf, kcal/mol:

-221.77

Dipole, Da:

7.14

IP(EA), eV:

 -8.92(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-chlorobenzoyl)amino]-4-methylphenyl]-1-[2-[4-chloro-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N(C)C)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations