Geometry & MOs

Info

ID:

421717

PubChem CID:

135116492

Reduced:

S2O5N6C29H38 (1)

Stoich.:

A2B5C6D29E38 (1)

Weight, g/mol:

322.236876

ΔHf, kcal/mol:

-124.5

Dipole, Da:

4.98

IP(EA), eV:

 -8.79(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4aS,8aS)-7-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)OCCCN3C=C(CN(CCCNC(=O)[C@@H](NC2=O)CCSC)S(=O)(=O)C4=CC=CC=C4C)N=N3

DOS

IR

Vibrations