Geometry & MOs

Info

ID:	40089
PubChem CID:	8143547
Reduced:	SN2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	385.115679
ΔH_f, kcal/mol:	65.97
Dipole, Da:	5.46
IP(EA), eV:	-8.23(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(4-phenoxyanilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC2=NN(C(=S)S2)CN3CCCC3

DOS

IR

Vibrations