Geometry & MOs

Info

ID:	33328
PubChem CID:	7885982
Reduced:	S2N3O3C19H21 (1)
Stoich.:	A2B3C3D19E21 (1)
Weight, g/mol:	385.109627
ΔH_f, kcal/mol:	-49.31
Dipole, Da:	3.96
IP(EA), eV:	-8.58(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N(C)CC3=CC=CO3)CC=C)C

DOS

IR

Vibrations