Geometry & MOs

Info

ID:	137011
PubChem CID:	52137659
Reduced:	ClOSN4C17H19 (1)
Stoich.:	ABCD4E17F19 (1)
Weight, g/mol:	386.141262
ΔH_f, kcal/mol:	38.02
Dipole, Da:	4.98
IP(EA), eV:	-8.91(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=NC=C(O2)C3=CC=C(C=C3)Cl)C(C)C

DOS

IR

Vibrations