Geometry & MOs

Info

ID:	29139
PubChem CID:	831851
Reduced:	SN2O4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-181.24
Dipole, Da:	7.67
IP(EA), eV:	-9.15(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

C1CC[C@H]([C@H](C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)C(=O)O

DOS

IR

Vibrations