Geometry & MOs

Info

ID:	417455
PubChem CID:	135094684
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	368.140593
ΔH_f, kcal/mol:	-25.02
Dipole, Da:	2.9
IP(EA), eV:	-8.41(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations