Geometry & MOs

Info

ID:	165914
PubChem CID:	74613331
Reduced:	F2N2O3C23H27 (1)
Stoich.:	A2B2C3D23E27 (1)
Weight, g/mol:	490.148633
ΔH_f, kcal/mol:	-165.92
Dipole, Da:	4.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.137569
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(CNC(=O)C=CC2=CC=C(C=C2)OC(F)F)[NH+]3CCCC3

DOS

IR

Vibrations