Geometry & MOs

Info

ID:	297761
PubChem CID:	117629331
Reduced:	F2S2N5O8H27C30 (1)
Stoich.:	A2B2C5D8E27F30 (1)
Weight, g/mol:	281.152812
ΔH_f, kcal/mol:	-277.21
Dipole, Da:	4.55
IP(EA), eV:	-8.98(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-6-pentylphenol

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1C2(CN(C2)C(=O)O)F)N3C4=CC(=C(C=C4OC3=O)S(=O)(=O)N(CC5=C(C=C(C=C5)OC)OC)C6=NC=NS6)F

DOS

IR

Vibrations