Geometry & MOs

Info

ID:

418276

PubChem CID:

135104044

Reduced:

SN7O9C32H47 (1)

Stoich.:

AB7C9D32E47 (1)

Weight, g/mol:

391.167811

ΔHf, kcal/mol:

-396.1

Dipole, Da:

4.35

IP(EA), eV:

 -8.91(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)S(=O)(=O)C3=CN(C(=O)N(C3=O)C)C)C(C)C

DOS

IR

Vibrations