Geometry & MOs

Info

ID:	313237
PubChem CID:	126612936
Reduced:	FN2O4C17H23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	416.069448
ΔH_f, kcal/mol:	-210.26
Dipole, Da:	4.86
IP(EA), eV:	-9.05(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,3aS,6S,6aR)-3-(2-phenylethynyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3,4-dichlorophenyl)urea

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC3=CC=C(C=C3)F

DOS

IR

Vibrations