Geometry & MOs

Info

ID:	186518
PubChem CID:	77441211
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	578.00284
ΔH_f, kcal/mol:	-116.45
Dipole, Da:	5.6
IP(EA), eV:	-9.63(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[5-[(3-bromobenzoyl)amino]-3,4,6-trihydroxyoxan-2-yl]methylsulfamoyl]-4-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NOC2=C1C3=CC=CC=C3C(=O)NC2CC(=O)OC(C)(C)C

DOS

IR

Vibrations