Geometry & MOs

Info

ID:	27013
PubChem CID:	811476
Reduced:	O2S2N3C15H21 (1)
Stoich.:	A2B2C3D15E21 (1)
Weight, g/mol:	328.135782
ΔH_f, kcal/mol:	-69.36
Dipole, Da:	5.87
IP(EA), eV:	-9.1(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-cyclopropylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)N1CCC2(CC1)N(CCS2)C(=O)C3=CC=CS3

DOS

IR

Vibrations