Geometry & MOs

Info

ID:	397366
PubChem CID:	135030117
Reduced:	SN2O3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	341.152812
ΔH_f, kcal/mol:	-63.36
Dipole, Da:	6.37
IP(EA), eV:	-9.15(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylphenyl)-9-[(3-methylphenyl)methyl]-4-oxa-3,8,11-triazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)/C=C/S(=N)(=O)C2=CC=CC=C2

DOS

IR

Vibrations