Geometry & MOs

Info

ID:	63213
PubChem CID:	26750151
Reduced:	BrN2F3O5H10C12 (1)
Stoich.:	AB2C3D5E10F12 (1)
Weight, g/mol:	444.9795
ΔH_f, kcal/mol:	-315.55
Dipole, Da:	1.88
IP(EA), eV:	-9.48(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-(difluoromethylsulfanyl)anilino]-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=C(OC(=C1)Br)/C=C/C(=O)OCC(=O)NC(=O)NCC(F)(F)F

DOS

IR

Vibrations