Geometry & MOs

Info

ID:	321985
PubChem CID:	126667666
Reduced:	NO6C14H19 (1)
Stoich.:	AB6C14D19 (1)
Weight, g/mol:	537.11252
ΔH_f, kcal/mol:	-259.83
Dipole, Da:	0.9
IP(EA), eV:	-9.93(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,3aR,6S,6aR)-3-[2-chloro-4-(thieno[3,2-d]pyrimidin-4-ylamino)phenoxy]-3a,6a-dimethyl-2,3,5,6-tetrahydrofuro[3,2-b]furan-6-yl] benzoate

Drug info:

PubChemData

Smile

CC(=O)C1=C([C@]2(CO[C@@H](N2C1=O)C(C)(C)C)C(=O)OC)O

DOS

IR

Vibrations