Geometry & MOs

Info

ID:	268786
PubChem CID:	103600907
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	252.118401
ΔH_f, kcal/mol:	-60.55
Dipole, Da:	2.27
IP(EA), eV:	-8.29(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-butylsulfanyl-2-phenylacetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=CC=C1)NC2=C(C=CC(=C2)C)C

DOS

IR

Vibrations