Geometry & MOs

Info

ID:

107527

PubChem CID:

50207234

Reduced:

ClO4N5C25H30 (1)

Stoich.:

AB4C5D25E30 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-158.05

Dipole, Da:

6.85

IP(EA), eV:

 -8.89(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-1-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C)Cl

DOS

IR

Vibrations