Geometry & MOs

Info

ID:	345328
PubChem CID:	127269604
Reduced:	S2N3O5C15H21 (1)
Stoich.:	A2B3C5D15E21 (1)
Weight, g/mol:	372.114378
ΔH_f, kcal/mol:	-177.5
Dipole, Da:	4.24
IP(EA), eV:	-8.31(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1NC(=O)NCCN3CCCS3(=O)=O)OCCO2

DOS

IR

Vibrations