Geometry & MOs

Info

ID:	55750
PubChem CID:	17396412
Reduced:	SN3O3C15H17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	358.152872
ΔH_f, kcal/mol:	-72.15
Dipole, Da:	5.32
IP(EA), eV:	-8.51(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-[3-(dimethylamino)benzoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=CC=C2)N(C)C

DOS

IR

Vibrations