Geometry & MOs

Info

ID:	68440
PubChem CID:	46508410
Reduced:	FN2S2O3H19C21 (1)
Stoich.:	AB2C2D3E19F21 (1)
Weight, g/mol:	394.094705
ΔH_f, kcal/mol:	-104.6
Dipole, Da:	6.14
IP(EA), eV:	-8.79(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-3-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC3=CSC(=N3)C)F

DOS

IR

Vibrations