Geometry & MOs

Info

ID:	154356
PubChem CID:	56313773
Reduced:	FSN3O3C23H30 (1)
Stoich.:	ABC3D3E23F30 (1)
Weight, g/mol:	454.183875
ΔH_f, kcal/mol:	-129.35
Dipole, Da:	7.41
IP(EA), eV:	-9.16(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations