Geometry & MOs

Info

ID:

114338

PubChem CID:

50479598

Reduced:

BrF2O4N5C34H38 (1)

Stoich.:

AB2C4D5E34F38 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-225.35

Dipole, Da:

8.08

IP(EA), eV:

 -8.96(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-methyl-3-[(2-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)Br)F)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations