Geometry & MOs

Info

ID:

68084

PubChem CID:

46507729

Reduced:

SO2N5H21C22 (1)

Stoich.:

AB2C5D21E22 (1)

Weight, g/mol:

523.204196

ΔHf, kcal/mol:

17.23

Dipole, Da:

4.9

IP(EA), eV:

 -8.56(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-1-(11-methyl-13-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C3=NC=NC4=C3SC5=C4C=CC=N5

DOS

IR

Vibrations