Geometry & MOs

Info

ID:	34257
PubChem CID:	7890539
Reduced:	NSO5C16H17 (1)
Stoich.:	ABC5D16E17 (1)
Weight, g/mol:	408.135508
ΔH_f, kcal/mol:	-157.4
Dipole, Da:	7.38
IP(EA), eV:	-9.61(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

DOS

IR

Vibrations