Geometry & MOs

Info

ID:	328266
PubChem CID:	126700463
Reduced:	NO2C35H45 (1)
Stoich.:	AB2C35D45 (1)
Weight, g/mol:	390.00778
ΔH_f, kcal/mol:	-76.35
Dipole, Da:	2.3
IP(EA), eV:	-7.97(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-bromophenyl)naphthalen-1-yl]benzenethiol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C2C=C(C3=CC=CC=C3N2)CC(C)C)CCCOC(C)C(C4=CC=CC=C4)C(C)O)C

DOS

IR

Vibrations