Geometry & MOs

Info

ID:	279295
PubChem CID:	103842930
Reduced:	NO3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	287.074678
ΔH_f, kcal/mol:	-183.48
Dipole, Da:	3.55
IP(EA), eV:	-9.74(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CCCC(CCC)C(=O)NCC1COC(O1)(C)C

DOS

IR

Vibrations