Geometry & MOs

Info

ID:	417198
PubChem CID:	135091626
Reduced:	S2N3O5C16H25 (1)
Stoich.:	A2B3C5D16E25 (1)
Weight, g/mol:	378.197714
ΔH_f, kcal/mol:	-197.39
Dipole, Da:	4.28
IP(EA), eV:	-9.69(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(butylsulfanylmethyl)-N,5-dimethylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)N[C@@H]1COC[C@H]1CS(=O)(=O)N(C)C)NC(=O)C2=CC=CS2

DOS

IR

Vibrations