Geometry & MOs

Info

ID:	229128
PubChem CID:	87567018
Reduced:	BrNPF2O4C24H31 (1)
Stoich.:	ABCD2E4F24G31 (1)
Weight, g/mol:	467.140259
ΔH_f, kcal/mol:	-328.85
Dipole, Da:	6.28
IP(EA), eV:	-9.32(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[[1-[methyl-(5-methylfuran-2-yl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=C(C=C(C=C1)CCNC(=O)CCCCC2=CC=CC=C2)Br)(F)F)O

DOS

IR

Vibrations