Geometry & MOs

Info

ID:	347397
PubChem CID:	127272246
Reduced:	ClSN2O2C19H19 (1)
Stoich.:	ABC2D2E19F19 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-59.31
Dipole, Da:	4.63
IP(EA), eV:	-8.69(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

C1CSC2=C(C1NC(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)C=C(C=C2)Cl

DOS

IR

Vibrations