Geometry & MOs

Info

ID:	179620
PubChem CID:	76511503
Reduced:	N2F3O4C18H19 (1)
Stoich.:	A2B3C4D18E19 (1)
Weight, g/mol:	613.25318
ΔH_f, kcal/mol:	-281.01
Dipole, Da:	7.43
IP(EA), eV:	-8.43(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-benzhydryl-3-(5-ethoxy-2-ethoxycarbothioylsulfanyl-5-oxopentyl)-2-oxopiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=C1C=CCOC(=O)OC)CCNC(=O)C(F)(F)F

DOS

IR

Vibrations