Geometry & MOs

Info

ID:	313270
PubChem CID:	126613193
Reduced:	N4O5C24H34 (1)
Stoich.:	A4B5C24D34 (1)
Weight, g/mol:	368.138148
ΔH_f, kcal/mol:	-199.67
Dipole, Da:	3.7
IP(EA), eV:	-9.16(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aS)-6-(2,2,2-trifluoroethylsulfanyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-cyclohexylurea

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3OC4=CC=C(C=C4)C(=O)N5CCNCC5

DOS

IR

Vibrations