Geometry & MOs

Info

ID:

93959

PubChem CID:

49997777

Reduced:

N3O3C18H22 (2)

Stoich.:

A3B3C18D22 (2)

Weight, g/mol:

674.322811

ΔHf, kcal/mol:

-214.68

Dipole, Da:

11.75

IP(EA), eV:

 -8.55(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methoxyanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)OC

DOS

IR

Vibrations