Geometry & MOs

Info

ID:

160611

PubChem CID:

57389209

Reduced:

FON7H22C24 (1)

Stoich.:

ABC7D22E24 (1)

Weight, g/mol:

488.179459

ΔHf, kcal/mol:

77.05

Dipole, Da:

5.45

IP(EA), eV:

 -8.72(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,6S)-3-[5-(3-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3,8-diazabicyclo[4.2.0]octan-8-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3C[C@H]4[C@@H]3CN(CC4)C5=CN=C6C=C(C=CC6=N5)F

DOS

IR

Vibrations