Geometry & MOs

Info

ID:	313256
PubChem CID:	126613081
Reduced:	N4O4C23H34 (1)
Stoich.:	A4B4C23D34 (1)
Weight, g/mol:	424.106848
ΔH_f, kcal/mol:	-160.56
Dipole, Da:	2.17
IP(EA), eV:	-8.32(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aR)-3-[(E)-2-thiophen-3-ylethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-[3-(trifluoromethyl)phenyl]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)N5CCNCC5

DOS

IR

Vibrations