Geometry & MOs

Info

ID:	170501
PubChem CID:	75242555
Reduced:	F2O14H36C39 (1)
Stoich.:	A2B14C36D39 (1)
Weight, g/mol:	513.226371
ΔH_f, kcal/mol:	-608.62
Dipole, Da:	4.41
IP(EA), eV:	-8.98(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[1-hydroxy-2-(4-oxoquinazolin-3-yl)ethyl]-3-phenylmethoxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC(=O)OC2C(C(OC(C2OC(=O)CCC3=CC=C(C=C3)F)OC4C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC(=C(C=C6)O)O)CO)O)F

DOS

IR

Vibrations