Geometry & MOs

Info

ID:	86178
PubChem CID:	49882385
Reduced:	S2N3O3H17C18 (1)
Stoich.:	A2B3C3D17E18 (1)
Weight, g/mol:	504.144296
ΔH_f, kcal/mol:	-5.95
Dipole, Da:	2.41
IP(EA), eV:	-8.82(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3C)SCC(=O)C4=CC=CS4

DOS

IR

Vibrations