Geometry & MOs

Info

ID:	214413
PubChem CID:	84982000
Reduced:	S2N3O5H13C15 (1)
Stoich.:	A2B3C5D13E15 (1)
Weight, g/mol:	406.131091
ΔH_f, kcal/mol:	-108.93
Dipole, Da:	7.15
IP(EA), eV:	-9.1(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC=C1C(=O)OCC2=NC(=O)C3C(=N2)C=CS3

DOS

IR

Vibrations