Geometry & MOs

Info

ID:

414685

PubChem CID:

135087644

Reduced:

ClO5N7C31H38 (1)

Stoich.:

AB5C7D31E38 (1)

Weight, g/mol:

372.127441

ΔHf, kcal/mol:

-121.48

Dipole, Da:

5.25

IP(EA), eV:

 -8.93(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCOC[C@H]1C(=O)N2CCCNC(=O)[C@@H](NC(=O)C3=CC(=C(C=C3)OCCCN4C=C(C2)N=N4)Cl)CC5=CC=CC=C5

DOS

IR

Vibrations