Geometry & MOs

Info

ID:	86204
PubChem CID:	49882708
Reduced:	SN4O5H26C28 (1)
Stoich.:	AB4C5D26E28 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	-80.16
Dipole, Da:	8.82
IP(EA), eV:	-8.94(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4COC5=CC=CC=C5O4

DOS

IR

Vibrations