Geometry & MOs

Info

ID:	183583
PubChem CID:	77042786
Reduced:	SN3O3C14H19 (1)
Stoich.:	AB3C3D14E19 (1)
Weight, g/mol:	268.080769
ΔH_f, kcal/mol:	-120.12
Dipole, Da:	2.53
IP(EA), eV:	-9.18(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-hydroxy-6-oxopiperidine-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(C(NC(=O)N1)SC)C(=O)NC2=CC=C(C=C2)CO

DOS

IR

Vibrations