Geometry & MOs

Info

ID:	397199
PubChem CID:	135029879
Reduced:	NO5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	306.107836
ΔH_f, kcal/mol:	-190.4
Dipole, Da:	2.95
IP(EA), eV:	-8.68(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(R)-benzylsulfanyl(phenyl)methyl]phenol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)OC)C(=O)OC

DOS

IR

Vibrations