Geometry & MOs

Info

ID:	313259
PubChem CID:	126613105
Reduced:	SN2F3O4H19C20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	384.150764
ΔH_f, kcal/mol:	-263.99
Dipole, Da:	5.52
IP(EA), eV:	-8.97(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aR)-3-[(Z)-2-thiophen-3-ylethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(2-phenylethyl)urea

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)NC(=O)NC3=CC=C(C=C3)OC(F)(F)F)/C=C\C4=CSC=C4

DOS

IR

Vibrations