Geometry & MOs

Info

ID:	206487
PubChem CID:	80258669
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	249.111341
ΔH_f, kcal/mol:	-59.16
Dipole, Da:	7.21
IP(EA), eV:	-9.4(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-methylcyclopentanecarbonyl)amino]pyrazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCCC1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations