Geometry & MOs

Info

ID:	32981
PubChem CID:	7849921
Reduced:	SN2O5H16C18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	389.129694
ΔH_f, kcal/mol:	-138.1
Dipole, Da:	11.83
IP(EA), eV:	-9.33(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)NC2=CC=C(C=C2)C#N

DOS

IR

Vibrations