Geometry & MOs

Info

ID:	313254
PubChem CID:	126613077
Reduced:	BrFN2O4C19H24 (1)
Stoich.:	ABC2D4E19F24 (1)
Weight, g/mol:	438.086113
ΔH_f, kcal/mol:	-205.63
Dipole, Da:	3.19
IP(EA), eV:	-9.32(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aR)-3-(2-thiophen-3-ylethynyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3OC4=CC(=C(C=C4)F)Br

DOS

IR

Vibrations