Geometry & MOs

Info

ID:	1985
PubChem CID:	5506
Reduced:	NOSC20H21 (1)
Stoich.:	ABCD20E21 (1)
Weight, g/mol:	323.134385
ΔH_f, kcal/mol:	23.01
Dipole, Da:	3.33
IP(EA), eV:	-8.58(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl) N-methyl-N-(3-methylphenyl)carbamothioate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(C)C(=S)OC2=CC3=C(C=C2)C4CCC3C4

DOS

IR

Vibrations