Geometry & MOs

Info

ID:	33461
PubChem CID:	7886610
Reduced:	NOSC9H9 (2)
Stoich.:	ABCD9E9 (2)
Weight, g/mol:	384.071468
ΔH_f, kcal/mol:	3.33
Dipole, Da:	2.79
IP(EA), eV:	-8.35(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]benzohydrazide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCSC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations