Geometry & MOs

Info

ID:	53191
PubChem CID:	14709731
Reduced:	SN3O5H15C16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	423.088892
ΔH_f, kcal/mol:	-123.58
Dipole, Da:	6.67
IP(EA), eV:	-10.16(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5,7-dioxopyrrolo[3,4-b]pyrazin-6-yl)-1-phenylethyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CN2C(=O)C3=NC=CN=C3C2=O

DOS

IR

Vibrations