Geometry & MOs

Info

ID:	313249
PubChem CID:	126613061
Reduced:	N2O4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	408.168522
ΔH_f, kcal/mol:	-143.71
Dipole, Da:	2.08
IP(EA), eV:	-8.36(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aR)-3-[(Z)-2-phenylethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)NC(=O)N[C@H]2COC3[C@@H]2OC[C@H]3CCC4=CC=CC=C4

DOS

IR

Vibrations