Geometry & MOs

Info

ID:	31772
PubChem CID:	3718047
Reduced:	N2S2Se2H21C25 (1)
Stoich.:	A2B2C2D21E25 (1)
Weight, g/mol:	338.979063
ΔH_f, kcal/mol:	110.58
Dipole, Da:	2.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.883112
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-hydroxynaphthalen-1-yl)thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CCN1C(=CC=CC2=[N+](C3=C(S2)C4=CC=CC=C4[Se]3)CC)SC5=C1[Se]C6=CC=CC=C65

DOS

IR

Vibrations