Geometry & MOs

Info

ID:	264017
PubChem CID:	103417106
Reduced:	SBr2N2O3H10C12 (1)
Stoich.:	AB2C2D3E10F12 (1)
Weight, g/mol:	316.091535
ΔH_f, kcal/mol:	-68.77
Dipole, Da:	4.98
IP(EA), eV:	-9.04(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylsulfanylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)NC2=NC(=CS2)CC(=O)O)Br)Br

DOS

IR

Vibrations