Geometry & MOs

Info

ID:	42030
PubChem CID:	8148196
Reduced:	SN2O2C19H26 (1)
Stoich.:	AB2C2D19E26 (1)
Weight, g/mol:	419.154172
ΔH_f, kcal/mol:	-37.58
Dipole, Da:	0.61
IP(EA), eV:	-8.36(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[(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

Smile

C[C@@H]1C[C@@H](CN(C1)CC2=CSC(=N2)C3=CC(=C(C=C3)OC)OC)C

DOS

IR

Vibrations