Geometry & MOs

Info

ID:

415411

PubChem CID:

135088405

Reduced:

SO3N4C18H24 (2)

Stoich.:

AB3C4D18E24 (2)

Weight, g/mol:

368.140593

ΔHf, kcal/mol:

-207.16

Dipole, Da:

10.53

IP(EA), eV:

 -8.66(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N1)C)C(C)C)C(=O)C3=CNC=C3)CC4=CC=CC=C4)CCSC

DOS

IR

Vibrations