Geometry & MOs

Info

ID:	86187
PubChem CID:	49882456
Reduced:	ClSN4O4H23C28 (1)
Stoich.:	ABC4D4E23F28 (1)
Weight, g/mol:	448.077218
ΔH_f, kcal/mol:	-8.56
Dipole, Da:	6.9
IP(EA), eV:	-9.11(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C=CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C4COC5=CC=CC=C5O4

DOS

IR

Vibrations