Geometry & MOs

Info

ID:

114332

PubChem CID:

50479421

Reduced:

FO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

603.285698

ΔHf, kcal/mol:

-179.21

Dipole, Da:

3.68

IP(EA), eV:

 -9.0(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC(C)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations