Geometry & MOs

Info

ID:	33812
PubChem CID:	7888233
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	415.102434
ΔH_f, kcal/mol:	-114.93
Dipole, Da:	5.17
IP(EA), eV:	-9.52(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CN3

DOS

IR

Vibrations