Geometry & MOs

Info

ID:	237019
PubChem CID:	92716922
Reduced:	SN2O5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	337.124883
ΔH_f, kcal/mol:	-182.7
Dipole, Da:	5.21
IP(EA), eV:	-9.47(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4,11,13-trimethyl-5-(4-methylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-6-one

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations