Geometry & MOs

Info

ID:	422092
PubChem CID:	135117184
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	354.114648
ΔH_f, kcal/mol:	-174.47
Dipole, Da:	5.43
IP(EA), eV:	-9.28(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-[2-(2-chloro-6-fluorophenyl)acetyl]-1,2,3,4,5,6,8,8a-octahydro-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C(=O)C2=C(C=CS2)C)C(=O)O

DOS

IR

Vibrations