Geometry & MOs

Info

ID:	191018
PubChem CID:	78094778
Reduced:	O12N13C40H55 (1)
Stoich.:	A12B13C40D55 (1)
Weight, g/mol:	332.094312
ΔH_f, kcal/mol:	-539.81
Dipole, Da:	10.27
IP(EA), eV:	-8.71(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)pyrazolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCC3C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)N)NC(=O)CC4C(=O)NC(=O)N4

DOS

IR

Vibrations