Geometry & MOs

Info

ID:

111287

PubChem CID:

50361351

Reduced:

SO4N7C25H35 (1)

Stoich.:

AB4C7D25E35 (1)

Weight, g/mol:

539.290783

ΔHf, kcal/mol:

-127.78

Dipole, Da:

6.75

IP(EA), eV:

 -9.17(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=NN=C(S3)C)C(=O)NCC(C)C

DOS

IR

Vibrations