Geometry & MOs

Info

ID:	40088
PubChem CID:	8143546
Reduced:	S2N4C16H23 (1)
Stoich.:	A2B4C16D23 (1)
Weight, g/mol:	334.128589
ΔH_f, kcal/mol:	87.58
Dipole, Da:	10.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.810020
Charge, e:	0

Chem-info

IUPAC name:

5-(4-propan-2-ylanilino)-3-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazole-2-thione

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCCC3

DOS

IR

Vibrations