Geometry & MOs

Info

ID:	419390
PubChem CID:	135108107
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	395.151492
ΔH_f, kcal/mol:	-123.1
Dipole, Da:	6.78
IP(EA), eV:	-9.56(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C(=O)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations