Geometry & MOs

Info

ID:	86173
PubChem CID:	49882364
Reduced:	S2N3O3C19H19 (1)
Stoich.:	A2B3C3D19E19 (1)
Weight, g/mol:	488.128504
ΔH_f, kcal/mol:	-14.22
Dipole, Da:	6.27
IP(EA), eV:	-8.72(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-2-[[4-ethyl-5-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)C2=CC=CS2)C3C(OC4=CC=CC=C4O3)C

DOS

IR

Vibrations