Geometry & MOs

Info

ID:	41624
PubChem CID:	8146610
Reduced:	BrN2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	371.136414
ΔH_f, kcal/mol:	-6.81
Dipole, Da:	5.27
IP(EA), eV:	-9.21(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O

DOS

IR

Vibrations