Geometry & MOs

Info

ID:	154025
PubChem CID:	56313385
Reduced:	FSN3O3C21H26 (1)
Stoich.:	ABC3D3E21F26 (1)
Weight, g/mol:	437.21147
ΔH_f, kcal/mol:	-129.65
Dipole, Da:	4.57
IP(EA), eV:	-8.89(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3F)NS(=O)(=O)C

DOS

IR

Vibrations