Geometry & MOs

Info

ID:	40798
PubChem CID:	8144714
Reduced:	SO2N4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	292.099397
ΔH_f, kcal/mol:	-32.95
Dipole, Da:	4.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.834536
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylamino]acetamide

Drug info:

PubChemData

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CNC(=O)C[NH2+]CC1=NC2=C(C3=C(S2)CCC3)C(=O)N1

DOS

IR

Vibrations