Geometry & MOs

Info

ID:	59657
PubChem CID:	24892025
Reduced:	ClS2O3N4C27H37 (1)
Stoich.:	AB2C3D4E27F37 (1)
Weight, g/mol:	425.098017
ΔH_f, kcal/mol:	-107.84
Dipole, Da:	5.73
IP(EA), eV:	-8.88(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-5-oxo-N-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C.Cl

DOS

IR

Vibrations