Geometry & MOs

Info

ID:	302104
PubChem CID:	124349536
Reduced:	SN2O3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	491.154863
ΔH_f, kcal/mol:	-89.86
Dipole, Da:	5.66
IP(EA), eV:	-9.2(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(4aR,7aR)-3,6,6-trioxo-4-(4-propan-2-ylphenyl)-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-1-yl]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@H]3N(CC2=O)CCC4=CC=CC=C4

DOS

IR

Vibrations