Geometry & MOs

Info

ID:	147161
PubChem CID:	53786814
Reduced:	NSO2C24H41 (1)
Stoich.:	ABC2D24E41 (1)
Weight, g/mol:	550.365825
ΔH_f, kcal/mol:	-111.43
Dipole, Da:	2.42
IP(EA), eV:	-8.8(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-pentylcyclohexanecarbonyl)oxyphenyl] 4-decoxybenzoate

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCCC(=CCN[C@@H](CS)C(=O)OC)C)C)C)C

DOS

IR

Vibrations