Geometry & MOs

Info

ID:	414692
PubChem CID:	135087651
Reduced:	SN2O5C17H24 (1)
Stoich.:	AB2C5D17E24 (1)
Weight, g/mol:	378.230728
ΔH_f, kcal/mol:	-126.25
Dipole, Da:	11.36
IP(EA), eV:	-9.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-2,2-diphenylethanone

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)S(=O)(=O)N2C[C@@H]3COC[C@H](C2)N(C3=O)C)C

DOS

IR

Vibrations