Geometry & MOs

Info

ID:	1936
PubChem CID:	5387
Reduced:	SO2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	-24.72
Dipole, Da:	6.03
IP(EA), eV:	-8.6(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one

Drug info:

PubChemData

Smile

CC1=C2C(=CS1)C(=O)NC3=CC=CC=C3N2C(=O)CN4CCN(CC4)C

DOS

IR

Vibrations