Geometry & MOs

Info

ID:	313241
PubChem CID:	126612998
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	362.163043
ΔH_f, kcal/mol:	-32.56
Dipole, Da:	2.72
IP(EA), eV:	-8.88(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,3aS,6S,6aR)-3-(2-phenylethynyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(3-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N[C@H]2COC3[C@@H]2OC[C@H]3C#CC4=CC=CC=C4

DOS

IR

Vibrations