Geometry & MOs

Info

ID:	214414
PubChem CID:	84982002
Reduced:	SN4O5C18H22 (1)
Stoich.:	AB4C5D18E22 (1)
Weight, g/mol:	401.104542
ΔH_f, kcal/mol:	-201.45
Dipole, Da:	8.4
IP(EA), eV:	-9.04(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(furan-2-yl)ethylamino]-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

CCNC(=O)C(C)NC(=O)COC(=O)C1=C(C2=C(S1)N=C3CCCN3C2=O)C

DOS

IR

Vibrations