Geometry & MOs

Info

ID:

418478

PubChem CID:

135105103

Reduced:

F2N6O7C35H44 (1)

Stoich.:

A2B6C7D35E44 (1)

Weight, g/mol:

360.13192

ΔHf, kcal/mol:

-379.57

Dipole, Da:

5.84

IP(EA), eV:

 -9.3(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)F)F)O

DOS

IR

Vibrations