Geometry & MOs

Info

ID:	347374
PubChem CID:	127272223
Reduced:	OSN3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	4.77
Dipole, Da:	4.71
IP(EA), eV:	-8.36(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)C)C

DOS

IR

Vibrations