Geometry & MOs

Info

ID:

93355

PubChem CID:

49993894

Reduced:

O4N5C36H49 (1)

Stoich.:

A4B5C36D49 (1)

Weight, g/mol:

595.292532

ΔHf, kcal/mol:

-192.64

Dipole, Da:

9.67

IP(EA), eV:

 -8.77(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5CCCCC5

DOS

IR

Vibrations