Geometry & MOs

Info

ID:	170202
PubChem CID:	75206150
Reduced:	NO4C24H29 (1)
Stoich.:	AB4C24D29 (1)
Weight, g/mol:	436.126835
ΔH_f, kcal/mol:	-111.72
Dipole, Da:	5.09
IP(EA), eV:	-7.96(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2CCCN2C(=O)COC3=C(C=C(C=C3)C=CC)OC

DOS

IR

Vibrations