Geometry & MOs

Info

ID:	420922
PubChem CID:	135115045
Reduced:	O2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	409.167142
ΔH_f, kcal/mol:	36.5
Dipole, Da:	7.78
IP(EA), eV:	-8.99(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-1-methyl-7-[4-[methyl(methylsulfonyl)amino]benzoyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=CN1CCN(C)CC2=NN=C(O2)C3=CC=CO3

DOS

IR

Vibrations