Geometry & MOs

Info

ID:	347442
PubChem CID:	127272291
Reduced:	SN3O3C14H21 (1)
Stoich.:	AB3C3D14E21 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-102.64
Dipole, Da:	3.0
IP(EA), eV:	-9.4(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC=CS2)C(=O)NCC3COCCO3

DOS

IR

Vibrations