Geometry & MOs

Info

ID:	67991
PubChem CID:	46507561
Reduced:	ClSN2O5H21C24 (1)
Stoich.:	ABC2D5E21F24 (1)
Weight, g/mol:	344.148455
ΔH_f, kcal/mol:	-139.35
Dipole, Da:	6.01
IP(EA), eV:	-9.26(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4,6-dioxo-5-(4-propan-2-ylphenyl)-3a,6a-dihydropyrrolo[3,4-d]triazol-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=O)C(=C2)S(=O)(=O)C3=CC(=C(C=C3)C)Cl)CC(=O)NCC4=CC=CO4

DOS

IR

Vibrations