Geometry & MOs

Info

ID:	420695
PubChem CID:	135114675
Reduced:	SN4O4C14H24 (1)
Stoich.:	AB4C4D14E24 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-140.4
Dipole, Da:	3.89
IP(EA), eV:	-9.67(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=NN1CCC(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations