Geometry & MOs

Info

ID:	308276
PubChem CID:	125325463
Reduced:	SO2N7C21H21 (1)
Stoich.:	AB2C7D21E21 (1)
Weight, g/mol:	451.153206
ΔH_f, kcal/mol:	89.57
Dipole, Da:	7.1
IP(EA), eV:	-8.79(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,6R,7S)-7-(4-methoxybenzoyl)-4-naphthalen-2-yl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=NN=C(C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations