Geometry & MOs

Info

ID:	30669
PubChem CID:	841649
Reduced:	SO4N5H13C14 (1)
Stoich.:	AB4C5D13E14 (1)
Weight, g/mol:	300.102941
ΔH_f, kcal/mol:	4.36
Dipole, Da:	6.68
IP(EA), eV:	-9.02(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C=C(C=N3)[N+](=O)[O-]

DOS

IR

Vibrations