Geometry & MOs

Info

ID:	398195
PubChem CID:	135032274
Reduced:	NOSC18H21 (1)
Stoich.:	ABCD18E21 (1)
Weight, g/mol:	1290.067559
ΔH_f, kcal/mol:	-25.1
Dipole, Da:	6.55
IP(EA), eV:	-8.22(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)C4=CC=CC=C4

DOS

IR

Vibrations