Geometry & MOs

Info

ID:	24456
PubChem CID:	610376
Reduced:	S2N4C9H12 (1)
Stoich.:	A2B4C9D12 (1)
Weight, g/mol:	240.050339
ΔH_f, kcal/mol:	67.67
Dipole, Da:	4.28
IP(EA), eV:	-8.69(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4,7-trimethyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dithione

Drug info:

PubChemData

Smile

CN1CC(=S)N(C2=C(C1=S)N(C=N2)C)C

DOS

IR

Vibrations