Geometry & MOs

Info

ID:	42005
PubChem CID:	8148130
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	382.195309
ΔH_f, kcal/mol:	-33.11
Dipole, Da:	5.6
IP(EA), eV:	-8.42(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methyl]azanium

Drug info:

PubChemData

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C[C@H](C(=O)NC1=CC=CC=C1OC)O/N=C\C2=CC=CC=C2

DOS

IR

Vibrations