Geometry & MOs

Info

ID:	48154
PubChem CID:	10537543
Reduced:	OSN2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	232.078268
ΔH_f, kcal/mol:	8.28
Dipole, Da:	6.63
IP(EA), eV:	-9.3(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-amino-2,3-dihydro-1H-pyrazolo[1,2-c][1,3,4]benzotriazepine-5-thione

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)SC)C2=CC=CC=C2

DOS

IR

Vibrations