Geometry & MOs

Info

ID:	46183
PubChem CID:	10522854
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	365.075346
ΔH_f, kcal/mol:	-108.01
Dipole, Da:	2.23
IP(EA), eV:	-8.88(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]benzotriazole

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=C(C=C3)CCC(=O)OC

DOS

IR

Vibrations