Geometry & MOs

Info

ID:	220118
PubChem CID:	85165263
Reduced:	PN4O9C32H39 (1)
Stoich.:	AB4C9D32E39 (1)
Weight, g/mol:	654.26245
ΔH_f, kcal/mol:	-383.96
Dipole, Da:	3.08
IP(EA), eV:	-9.52(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-acetyloxy-1-[tert-butyl(diphenyl)silyl]oxy-4-methylhept-5-yn-3-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

COC(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)P(=O)(OC)OC(CC2=CC=CC=C2)C(=O)OCCCC3=CC=NC=C3

DOS

IR

Vibrations