Geometry & MOs

Info

ID:	313248
PubChem CID:	126613060
Reduced:	N4O5C20H24 (1)
Stoich.:	A4B5C20D24 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	-145.83
Dipole, Da:	3.18
IP(EA), eV:	-9.41(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)O[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)NCC4=NC(=CC=C4)OC

DOS

IR

Vibrations