Geometry & MOs

Info

ID:	68943
PubChem CID:	46513128
Reduced:	F2N2O3H14C16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	419.187878
ΔH_f, kcal/mol:	-94.06
Dipole, Da:	6.44
IP(EA), eV:	-9.99(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-ethylphenyl)-2-methylpropyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)F)F)N(C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations