Geometry & MOs

Info

ID:

105504

PubChem CID:

50111102

Reduced:

N6O6C35H48 (1)

Stoich.:

A6B6C35D48 (1)

Weight, g/mol:

660.307161

ΔHf, kcal/mol:

-263.92

Dipole, Da:

5.71

IP(EA), eV:

 -8.2(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-[3-[(4-fluorobenzoyl)amino]-4-methoxyanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4CCCCC4)OC

DOS

IR

Vibrations