Geometry & MOs

Info

ID:	218989
PubChem CID:	85090305
Reduced:	NSO2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	280.186087
ΔH_f, kcal/mol:	-30.71
Dipole, Da:	3.63
IP(EA), eV:	-8.68(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S,6R)-6-methoxydecan-5-yl]sulfanylbenzene

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)SN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations