Geometry & MOs

Info

ID:	153813
PubChem CID:	56313128
Reduced:	FON4C23H33 (1)
Stoich.:	ABC4D23E33 (1)
Weight, g/mol:	409.162412
ΔH_f, kcal/mol:	-65.27
Dipole, Da:	3.06
IP(EA), eV:	-8.7(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(C)C)C)CC(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations