Geometry & MOs

Info

ID:	64486
PubChem CID:	29201534
Reduced:	SCl2N2O5C22H24 (1)
Stoich.:	AB2C2D5E22F24 (1)
Weight, g/mol:	425.071528
ΔH_f, kcal/mol:	-194.78
Dipole, Da:	4.06
IP(EA), eV:	-9.33(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)O[C@H](C)C(=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations