Geometry & MOs

Info

ID:	345323
PubChem CID:	127269599
Reduced:	N2S2O3C15H20 (1)
Stoich.:	A2B2C3D15E20 (1)
Weight, g/mol:	375.136511
ΔH_f, kcal/mol:	-99.18
Dipole, Da:	1.71
IP(EA), eV:	-8.46(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1NC(=O)N3CCCSCC3)OCCO2

DOS

IR

Vibrations