Geometry & MOs

Info

ID:	44281
PubChem CID:	10502402
Reduced:	NO5C25H29 (1)
Stoich.:	AB5C25D29 (1)
Weight, g/mol:	424.246743
ΔH_f, kcal/mol:	-154.77
Dipole, Da:	4.98
IP(EA), eV:	-8.03(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[(1S,3S)-3-(4-tert-butylphenyl)sulfonyl-3-methylcyclohexyl]oxy-dimethylsilane

Drug info:

PubChemData

Smile

CCCN1C(=C(C2=C1C(=C(C=C2/C=C(\C)/C(=O)O)OC)OCOC)C)C3=CC=CC=C3

DOS

IR

Vibrations