Geometry & MOs

Info

ID:	40101
PubChem CID:	8143564
Reduced:	SN2H12C16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	323.100029
ΔH_f, kcal/mol:	93.44
Dipole, Da:	5.89
IP(EA), eV:	-8.47(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC3=NC4=CC=CC=C4N23

DOS

IR

Vibrations