Geometry & MOs

Info

ID:	38872
PubChem CID:	8138090
Reduced:	S2N4O4C15H18 (1)
Stoich.:	A2B4C4D15E18 (1)
Weight, g/mol:	402.079804
ΔH_f, kcal/mol:	-85.11
Dipole, Da:	7.17
IP(EA), eV:	-9.33(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-3-[(1H-pyrrole-2-carbonylamino)carbamoyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NNC(=O)C2=CC=CN2)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations