Geometry & MOs

Info

ID:	194977
PubChem CID:	78616347
Reduced:	SN3O4C16H24 (1)
Stoich.:	AB3C4D16E24 (1)
Weight, g/mol:	336.204907
ΔH_f, kcal/mol:	-108.11
Dipole, Da:	8.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757958
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 4-(1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)[NH2+]CC=C

DOS

IR

Vibrations