Geometry & MOs

Info

ID:	195225
PubChem CID:	78659834
Reduced:	ClSN2O7C15H15 (1)
Stoich.:	ABC2D7E15F15 (1)
Weight, g/mol:	373.126026
ΔH_f, kcal/mol:	-194.14
Dipole, Da:	4.96
IP(EA), eV:	-9.28(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-(3-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

COC(=O)C1CN(CCS1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations