Geometry & MOs

Info

ID:	403987
PubChem CID:	135063963
Reduced:	NSO2C22H29 (1)
Stoich.:	ABC2D22E29 (1)
Weight, g/mol:	290.151809
ΔH_f, kcal/mol:	-75.89
Dipole, Da:	5.66
IP(EA), eV:	-8.91(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5R)-5-hydroxy-9-phenylmethoxynon-6-ynoate

Drug info:

PubChemData

Smile

CCC[C@@H]1[C@@H](CC2=C1C=C(C=C2)C(C)C)NS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations