Geometry & MOs

Info

ID:	282411
PubChem CID:	103925881
Reduced:	N2S2O3C10H12 (1)
Stoich.:	A2B2C3D10E12 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	-102.95
Dipole, Da:	7.82
IP(EA), eV:	-8.93(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]-2-ethylbutanoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C(=O)NC2(CCSC2)C(=O)O

DOS

IR

Vibrations