Geometry & MOs

Info

ID:	313258
PubChem CID:	126613093
Reduced:	N3O5C20H29 (1)
Stoich.:	A3B5C20D29 (1)
Weight, g/mol:	440.101763
ΔH_f, kcal/mol:	-193.76
Dipole, Da:	4.23
IP(EA), eV:	-9.62(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aR)-3-[(Z)-2-thiophen-3-ylethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)O[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)NC4(CCCC4)COC

DOS

IR

Vibrations