Geometry & MOs

Info

ID:	313262
PubChem CID:	126613154
Reduced:	N3O4C24H35 (1)
Stoich.:	A3B4C24D35 (1)
Weight, g/mol:	456.204907
ΔH_f, kcal/mol:	-171.25
Dipole, Da:	3.9
IP(EA), eV:	-8.83(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3OC4=CC=CC(=C4)C5CCNCC5

DOS

IR

Vibrations