Geometry & MOs

Info

ID:	166158
PubChem CID:	74642728
Reduced:	SN3O3F5H14C17 (1)
Stoich.:	AB3C3D5E14F17 (1)
Weight, g/mol:	481.133924
ΔH_f, kcal/mol:	-251.99
Dipole, Da:	7.34
IP(EA), eV:	-9.88(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-[[5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CS(=O)(=O)NCCC(=O)NNC2=C(C(=C(C(=C2F)F)F)F)F

DOS

IR

Vibrations