Geometry & MOs

Info

ID:	347485
PubChem CID:	127272340
Reduced:	OS2N4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	358.132885
ΔH_f, kcal/mol:	0.06
Dipole, Da:	4.61
IP(EA), eV:	-9.05(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CCNC(=O)N2CCC(CC2)C3=NC=CS3

DOS

IR

Vibrations