Geometry & MOs

Info

ID:	47017
PubChem CID:	10528985
Reduced:	NSO4C29H29 (1)
Stoich.:	ABC4D29E29 (1)
Weight, g/mol:	487.348171
ΔH_f, kcal/mol:	-97.51
Dipole, Da:	5.39
IP(EA), eV:	-8.71(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,3S)-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-7-phenylhept-1-enyl]-1-hydroxycyclohexyl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)O)C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

DOS

IR

Vibrations