Geometry & MOs

Info

ID:	423520
PubChem CID:	135119667
Reduced:	FN3O3C22H30 (1)
Stoich.:	AB3C3D22E30 (1)
Weight, g/mol:	358.146347
ΔH_f, kcal/mol:	-104.27
Dipole, Da:	4.94
IP(EA), eV:	-9.05(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-1-methyl-7-(5-phenyl-1,3,4-thiadiazol-2-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC1(CCC1)CNC(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations