Geometry & MOs

Info

ID:	140643
PubChem CID:	52734726
Reduced:	OSN2C19H26 (1)
Stoich.:	ABC2D19E26 (1)
Weight, g/mol:	331.18441
ΔH_f, kcal/mol:	-12.92
Dipole, Da:	3.4
IP(EA), eV:	-8.93(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[(1S)-2-[(3-ethylthiophene-2-carbonyl)amino]-1-phenylethyl]azanium

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)C(=O)NC[C@@H](C2=CC=CC=C2)N(CC)CC

DOS

IR

Vibrations