Geometry & MOs

Info

ID:	396981
PubChem CID:	135029539
Reduced:	NOSH15C17 (1)
Stoich.:	ABCD15E17 (1)
Weight, g/mol:	300.118401
ΔH_f, kcal/mol:	37.34
Dipole, Da:	3.71
IP(EA), eV:	-8.84(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl) (3S)-3-benzylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC=C(O2)CSC3=CC=CC=C3

DOS

IR

Vibrations