Geometry & MOs

Info

ID:	158636
PubChem CID:	56464356
Reduced:	FSO3N4C26H29 (1)
Stoich.:	ABC3D4E26F29 (1)
Weight, g/mol:	422.108248
ΔH_f, kcal/mol:	-85.34
Dipole, Da:	1.51
IP(EA), eV:	-8.5(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-methylphenyl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations