Geometry & MOs

Info

ID:

422260

PubChem CID:

135117522

Reduced:

O3N4C17H25 (2)

Stoich.:

A3B4C17D25 (2)

Weight, g/mol:

387.198048

ΔHf, kcal/mol:

-246.18

Dipole, Da:

9.23

IP(EA), eV:

 -9.14(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)CCCNC(=O)[C@@H](NC(=O)C1)CC3=CC=C(C=C3)O)NC(=O)CCCN4C=NC=N4)C(C)C

DOS

IR

Vibrations