Geometry & MOs

Info

ID:

160641

PubChem CID:

57389295

Reduced:

FOSN6H25C26 (1)

Stoich.:

ABCD6E25F26 (1)

Weight, g/mol:

508.183458

ΔHf, kcal/mol:

61.85

Dipole, Da:

5.52

IP(EA), eV:

 -8.68(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,6S)-3-[4-(difluoromethyl)-5-(3-fluorophenyl)-1,3-oxazol-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=NC(=C(S5)C)C6=CC(=CC=C6)F

DOS

IR

Vibrations