Geometry & MOs

Info

ID:	245195
PubChem CID:	99437854
Reduced:	S2N3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	370.056961
ΔH_f, kcal/mol:	-51.18
Dipole, Da:	7.02
IP(EA), eV:	-8.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoropyridin-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)N=C2N(C=CS2)CC3=CC=CC=C3

DOS

IR

Vibrations