Geometry & MOs

Info

ID:	232073
PubChem CID:	87575378
Reduced:	SN2O6C22H22 (1)
Stoich.:	AB2C6D22E22 (1)
Weight, g/mol:	443.203134
ΔH_f, kcal/mol:	-217.28
Dipole, Da:	2.5
IP(EA), eV:	-9.17(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl-[1-[4-(5-methyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethylamino]-oxidosulfanium

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC\2=C(C=C1)NC(=O)/C2=C/C3=C(C4=C(N3)CCCC4=O)CCC(=O)O

DOS

IR

Vibrations