Geometry & MOs

Info

ID:	313240
PubChem CID:	126612993
Reduced:	F2N3O4C19H25 (1)
Stoich.:	A2B3C4D19E25 (1)
Weight, g/mol:	362.163043
ΔH_f, kcal/mol:	-255.24
Dipole, Da:	4.33
IP(EA), eV:	-9.45(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)O[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)NC4CCCCC4(F)F

DOS

IR

Vibrations