Geometry & MOs

Info

ID:	32101
PubChem CID:	4266060
Reduced:	SN2O5H18C21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	379.036223
ΔH_f, kcal/mol:	-73.08
Dipole, Da:	2.3
IP(EA), eV:	-8.3(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-2-nitrophenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C=CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations