Geometry & MOs

Info

ID:	130814
PubChem CID:	51112962
Reduced:	SO3N4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	336.114378
ΔH_f, kcal/mol:	-69.78
Dipole, Da:	7.05
IP(EA), eV:	-9.1(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylphenyl) 5-carbamoyl-1-methylpyrrole-3-sulfonate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NN=CC3=CC=CC=C32

DOS

IR

Vibrations