Geometry & MOs

Info

ID:	146966
PubChem CID:	53776818
Reduced:	NSO2C12H25 (1)
Stoich.:	ABC2D12E25 (1)
Weight, g/mol:	438.179087
ΔH_f, kcal/mol:	-113.95
Dipole, Da:	2.32
IP(EA), eV:	-8.34(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(2,6-dimethoxyphenyl)-3-ethoxycarbonylpyrazol-1-yl]-3-propan-2-ylbenzoic acid

Drug info:

PubChemData

Smile

CCC(CS(=O)O)C(C)N1CCCC(C1)C

DOS

IR

Vibrations