Geometry & MOs

Info

ID:	65407
PubChem CID:	29214868
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-36.18
Dipole, Da:	5.69
IP(EA), eV:	-8.42(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aR,8aS)-6-(furan-2-carbonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-2-(2-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)C1=CC=C(C=C1)OCC2=C(ON=C2C)C

DOS

IR

Vibrations