Geometry & MOs

Info

ID:

423037

PubChem CID:

135118821

Reduced:

SN6O7C37H48 (1)

Stoich.:

AB6C7D37E48 (1)

Weight, g/mol:

358.171499

ΔHf, kcal/mol:

-265.3

Dipole, Da:

5.81

IP(EA), eV:

 -8.9(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4aS,8aS)-1-(1-benzothiophen-3-ylmethyl)-4a-(hydroxymethyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N[C@H]2CCCNC(=O)COC3=C(C=CC(=C3)CCCNC(=O)[C@H](NC(=O)[C@@H](NC2=O)CC4=CC=CC=C4)C(C)C)OC

DOS

IR

Vibrations