Geometry & MOs

Info

ID:	184299
PubChem CID:	77141990
Reduced:	SN3O3H13C16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	283.103085
ΔH_f, kcal/mol:	48.21
Dipole, Da:	10.9
IP(EA), eV:	-9.06(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-5-phenylsulfanyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C=C2C(=NN(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])C

DOS

IR

Vibrations