Geometry & MOs

Info

ID:	198345
PubChem CID:	79090079
Reduced:	N3C16H21 (1)
Stoich.:	A3B16C21 (1)
Weight, g/mol:	294.067428
ΔH_f, kcal/mol:	51.76
Dipole, Da:	6.93
IP(EA), eV:	-8.55(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(pyrrol-1-ylsulfamoyl)phenyl]acetate

Drug info:

PubChemData

Smile

CN1C2CCC1CN(CC2)CC3=CC=C(C=C3)C#N

DOS

IR

Vibrations