Geometry & MOs

Info

ID:	122449
PubChem CID:	50807214
Reduced:	ClSO2N4H15C19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	438.136176
ΔH_f, kcal/mol:	-6.29
Dipole, Da:	2.18
IP(EA), eV:	-8.97(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-dimethoxyphenyl)methyl]-2-(11,13-dimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)SC3=C2N=CN(C3=O)CC(=O)NCCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations