Geometry & MOs

Info

ID:	141302
PubChem CID:	52856515
Reduced:	N3O3H23C24 (1)
Stoich.:	A3B3C23D24 (1)
Weight, g/mol:	476.248407
ΔH_f, kcal/mol:	24.51
Dipole, Da:	9.98
IP(EA), eV:	-9.23(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[[(2S)-2-[(2S)-1-benzylpyrrolidin-1-ium-2-yl]pyrrolidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1C2=CC=CC=C2)CC(=O)N3CCC4=C3C=CC(=C4)[N+](=O)[O-]

DOS

IR

Vibrations