Geometry & MOs

Info

ID:	165917
PubChem CID:	74614492
Reduced:	SF2N3O5C23H25 (1)
Stoich.:	AB2C3D5E23F25 (1)
Weight, g/mol:	482.107162
ΔH_f, kcal/mol:	-240.82
Dipole, Da:	4.99
IP(EA), eV:	-8.87(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)F)F)NC(=O)C=CC3=CC=C(C=C3)OC

DOS

IR

Vibrations