Geometry & MOs

Info

ID:	419128
PubChem CID:	135107563
Reduced:	N2O5C20H24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	442.22162
ΔH_f, kcal/mol:	-165.81
Dipole, Da:	5.82
IP(EA), eV:	-9.49(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-[1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-5-carbonyl]-1,2,3,4,5,6,8,8a-octahydro-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(O1)CN2CC[C@]([C@H](C2)O)(CC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations