Geometry & MOs

Info

ID:	347377
PubChem CID:	127272226
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	-75.52
Dipole, Da:	3.59
IP(EA), eV:	-9.06(-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-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

Drug info:

PubChemData

Smile

C1COCCN1CC2=CSC(=N2)NC(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O

DOS

IR

Vibrations