Geometry & MOs

Info

ID:

105491

PubChem CID:

50111061

Reduced:

N6O6C35H42 (1)

Stoich.:

A6B6C35D42 (1)

Weight, g/mol:

660.307161

ΔHf, kcal/mol:

-191.18

Dipole, Da:

13.71

IP(EA), eV:

 -8.77(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methoxyanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)OC

DOS

IR

Vibrations