Geometry & MOs

Info

ID:	14506
PubChem CID:	413392
Reduced:	NSO2C21H29 (1)
Stoich.:	ABC2D21E29 (1)
Weight, g/mol:	359.1919
ΔH_f, kcal/mol:	-61.91
Dipole, Da:	2.2
IP(EA), eV:	-8.57(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(diethylamino)ethyl]-4-phenyl-2-thiophen-2-ylbutanoate

Drug info:

PubChemData

Smile

CCN(CC)CCC(CCC1=CC=CC=C1)(C2=CC=CS2)C(=O)OC

DOS

IR

Vibrations