Geometry & MOs

Info

ID:	216972
PubChem CID:	85087055
Reduced:	PS2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	234.070108
ΔH_f, kcal/mol:	10.22
Dipole, Da:	8.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.957779
Charge, e:	1

Chem-info

IUPAC name:

methyl-[(2-methyl-4-phenylthiadiazol-5-ylidene)methyl]-oxoazanium

Drug info:

PubChemData

Smile

CC1CC(SC(S1)[P+](C)(C)C2=CC=CC=C2)C

DOS

IR

Vibrations