Geometry & MOs

Info

ID:	156678
PubChem CID:	56371664
Reduced:	SN2O5C20H22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	371.146762
ΔH_f, kcal/mol:	-157.11
Dipole, Da:	4.92
IP(EA), eV:	-8.77(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[(4-fluorophenyl)methoxy]phenyl]methylsulfanyl]-4-methyl-5-propan-2-yl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN(C)C(=O)CN2C(=O)C3=CC=CC=C3CS2(=O)=O

DOS

IR

Vibrations