Geometry & MOs

Info

ID:	271150
PubChem CID:	103645393
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	218.134051
ΔH_f, kcal/mol:	-86.33
Dipole, Da:	3.3
IP(EA), eV:	-9.64(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-(3-methylbutylsulfanyl)acetate

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)N[C@H](CO)C2=CC=CC=C2

DOS

IR

Vibrations