Geometry & MOs

Info

ID:

93574

PubChem CID:

49995562

Reduced:

O4N5C34H47 (1)

Stoich.:

A4B5C34D47 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-195.16

Dipole, Da:

6.67

IP(EA), eV:

 -8.82(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(4-fluoro-2-methylphenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]-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)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=CC(=C4)C)C

DOS

IR

Vibrations