Geometry & MOs

Info

ID:	416997
PubChem CID:	135091066
Reduced:	SN3O5C14H23 (1)
Stoich.:	AB3C5D14E23 (1)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-191.39
Dipole, Da:	6.11
IP(EA), eV:	-9.78(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aS,8aS)-4a-(3,6-dihydro-2H-pyran-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[4,3-b]pyridin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC1=NC(=C(O1)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations