Geometry & MOs

Info

ID:	33303
PubChem CID:	7885885
Reduced:	O2N3S3H17C19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	414.099791
ΔH_f, kcal/mol:	26.14
Dipole, Da:	2.73
IP(EA), eV:	-8.6(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methoxy-2-methyl-4-nitrophenyl)-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)SCC3=COC(=N3)C4=CC=CS4)CC=C)C

DOS

IR

Vibrations