Geometry & MOs

Info

ID:	378759
PubChem CID:	134224856
Reduced:	NS2C32H35 (1)
Stoich.:	AB2C32D35 (1)
Weight, g/mol:	355.0667
ΔH_f, kcal/mol:	139.27
Dipole, Da:	2.91
IP(EA), eV:	-8.17(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-nitrophenyl)naphtho[2,1-b][1]benzothiole

Drug info:

PubChemData

Smile

CCC1=C(SC(=C1C=C)C2=C(C(=C(N2C)C3=C(C(=C(S3)/C=C\C=C)CC)C=C)C=C)C=C)/C=C\C

DOS

IR

Vibrations