Geometry & MOs

Info

ID:	222021
PubChem CID:	85293446
Reduced:	NPSC30H30 (1)
Stoich.:	ABCD30E30 (1)
Weight, g/mol:	468.233431
ΔH_f, kcal/mol:	87.73
Dipole, Da:	1.39
IP(EA), eV:	-8.07(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-tert-butyl 3-(3-hydroxy-1-phenylmethoxyhexan-2-yl)oxy-5-phenylpent-4-ynethioate

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=CC=CC=C2SC3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations