Geometry & MOs

Info

ID:	28339
PubChem CID:	827091
Reduced:	NSO2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	275.028396
ΔH_f, kcal/mol:	-31.82
Dipole, Da:	2.6
IP(EA), eV:	-8.41(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorobenzo[b][1,4]benzothiazepin-6-yl)hydrazine

Drug info:

PubChemData

Smile

CN1CCC(CC1)[C@]2(C3=C(C(=CC4=CC=CC=C42)OC)SC=C3)O

DOS

IR

Vibrations