Geometry & MOs

Info

ID:	399910
PubChem CID:	135043737
Reduced:	NS2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	190.086804
ΔH_f, kcal/mol:	14.48
Dipole, Da:	5.99
IP(EA), eV:	-8.24(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-carboxy-2-(4-ethynylphenyl)ethyl]azanium

Drug info:

PubChemData

Smile

CCN(CC)C(=S)SC1=CC(=CC(=C1)C)C

DOS

IR

Vibrations