Geometry & MOs

Info

ID:	156418
PubChem CID:	56370523
Reduced:	IOSN4C14H17 (1)
Stoich.:	ABCD4E14F17 (1)
Weight, g/mol:	357.106647
ΔH_f, kcal/mol:	30.52
Dipole, Da:	7.12
IP(EA), eV:	-8.92(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-4-methyl-5-propan-2-yl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)I

DOS

IR

Vibrations