Geometry & MOs

Info

ID:	55597
PubChem CID:	17395627
Reduced:	SO3N4C16H22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	372.168522
ΔH_f, kcal/mol:	-91.48
Dipole, Da:	4.1
IP(EA), eV:	-8.67(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NNC(=N2)C(C)C

DOS

IR

Vibrations