Geometry & MOs

Info

ID:	41640
PubChem CID:	8146658
Reduced:	O2N3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	371.136414
ΔH_f, kcal/mol:	5.9
Dipole, Da:	11.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761879
Charge, e:	1

Chem-info

IUPAC name:

benzyl-ethyl-[[5-(3-methylanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]azanium

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CO1)[NH2+][C@H](C)C2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations