Geometry & MOs

Info

ID:	318389
PubChem CID:	126651057
Reduced:	ClFN2O8C28H28 (1)
Stoich.:	ABC2D8E28F28 (1)
Weight, g/mol:	469.02284
ΔH_f, kcal/mol:	-319.29
Dipole, Da:	7.28
IP(EA), eV:	-9.38(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[[[3-methyl-4-[(2-methylpropan-2-yl)oxy]-3-methylsulfonyl-4-oxobutyl]amino]methyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CN(C(=O)C=C1C2=C(C=CC(=C2)Cl)OCCF)C(CC3COCCO3)C(=O)NC4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations