Geometry & MOs

Info

ID:	313269
PubChem CID:	126613191
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	458.25292
ΔH_f, kcal/mol:	-163.42
Dipole, Da:	3.61
IP(EA), eV:	-9.15(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aS)-6-[4-(piperazine-1-carbonyl)phenoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-cyclohexylurea

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3OC4=C(N=CC=C4)C

DOS

IR

Vibrations