Geometry & MOs

Info

ID:	28332
PubChem CID:	827065
Reduced:	NSC15H15 (1)
Stoich.:	ABC15D15 (1)
Weight, g/mol:	235.077933
ΔH_f, kcal/mol:	46.87
Dipole, Da:	1.54
IP(EA), eV:	-8.43(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dihydro-2H-1-benzothiepin-5-ylideneamino)urea

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2[C@H](C3=CC=CC=C3S1)CN

DOS

IR

Vibrations