Geometry & MOs

Info

ID:	69061
PubChem CID:	46517284
Reduced:	FN2S2O5C18H19 (1)
Stoich.:	AB2C2D5E18F19 (1)
Weight, g/mol:	454.086843
ΔH_f, kcal/mol:	-205.31
Dipole, Da:	9.35
IP(EA), eV:	-8.62(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dimethyl-5-[2-(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)oxyacetyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCC3)F

DOS

IR

Vibrations