Geometry & MOs

Info

ID:	423440
PubChem CID:	135119511
Reduced:	SO2N4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	-7.07
Dipole, Da:	2.5
IP(EA), eV:	-9.54(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(=O)N(CCO)CC3=NC=CN3)SC=N2

DOS

IR

Vibrations