Geometry & MOs

Info

ID:

106191

PubChem CID:

50151974

Reduced:

O4N5C34H47 (1)

Stoich.:

A4B5C34D47 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-184.63

Dipole, Da:

7.02

IP(EA), eV:

 -9.09(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(4-fluorophenyl)carbamoyl]-6-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)C)C

DOS

IR

Vibrations