Geometry & MOs

Info

ID:	6071
PubChem CID:	14411
Reduced:	OSN3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	327.140533
ΔH_f, kcal/mol:	19.0
Dipole, Da:	0.48
IP(EA), eV:	-8.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(dimethylamino)ethyl]-2-methylsulfanyl-11H-benzo[b][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

CN(C)CCN1C2=C(C=C(C=C2)SC)NC3=CC=CC=C3C1=O

DOS

IR

Vibrations