Geometry & MOs

Info

ID:	151677
PubChem CID:	56261093
Reduced:	BrN2S2O6C17H19 (1)
Stoich.:	AB2C2D6E17F19 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-208.84
Dipole, Da:	4.11
IP(EA), eV:	-9.1(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(=O)NC2=CC(=C(C=C2)N(S(=O)(=O)C)S(=O)(=O)C)Br

DOS

IR

Vibrations