Geometry & MOs

Info

ID:	419027
PubChem CID:	135107363
Reduced:	SO2N3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	352.145678
ΔH_f, kcal/mol:	-44.1
Dipole, Da:	4.14
IP(EA), eV:	-9.0(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-1-methyl-7-[5-(methylsulfanylmethyl)furan-2-carbonyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CNC(=O)CC2CN(CCO2)CC3=CC=CC=C3

DOS

IR

Vibrations