Geometry & MOs

Info

ID:	12299
PubChem CID:	134307
Reduced:	ON3S3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	390.076851
ΔH_f, kcal/mol:	43.45
Dipole, Da:	3.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754105
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[3-[[2-(2-phenyl-1,3-thiazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propyl]sulfanium

Drug info:

PubChemData

Smile

C[S+](C)CCCNC(=O)C1=CSC(=N1)C2=CSC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations