Geometry & MOs

Info

ID:	131203
PubChem CID:	51174014
Reduced:	SO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-2.69
Dipole, Da:	5.74
IP(EA), eV:	-8.57(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoyl]phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CSC3=CC=CC=[N+]3[O-]

DOS

IR

Vibrations