Geometry & MOs

Info

ID:	347459
PubChem CID:	127272308
Reduced:	S2O3N4C15H24 (1)
Stoich.:	A2B3C4D15E24 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-112.3
Dipole, Da:	5.06
IP(EA), eV:	-9.2(-0.64)
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-[(2-methylcyclohexyl)methyl]urea

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)NC(=O)N2CCC(CC2)C3=NC=CS3

DOS

IR

Vibrations