Geometry & MOs

Info

ID:	67940
PubChem CID:	46507477
Reduced:	S2N3O3H23C24 (1)
Stoich.:	A2B3C3D23E24 (1)
Weight, g/mol:	270.124252
ΔH_f, kcal/mol:	-10.84
Dipole, Da:	7.59
IP(EA), eV:	-8.26(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-amino-2-oxoethyl)-N-benzylpyridin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(C)S(=O)(=O)C2=C(SC=C2C3=CC=CC=C3)C(=O)N4C(=CC(=N4)C)C

DOS

IR

Vibrations