Geometry & MOs

Info

ID:	62275
PubChem CID:	26718876
Reduced:	SN2O5C22H28 (1)
Stoich.:	AB2C5D22E28 (1)
Weight, g/mol:	330.121572
ΔH_f, kcal/mol:	-181.39
Dipole, Da:	8.57
IP(EA), eV:	-8.46(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(1,3-benzodioxol-5-ylcarbamoyl)-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC2=CC3=C(C=C2)OCO3)C)C

DOS

IR

Vibrations