Geometry & MOs

Info

ID:	153814
PubChem CID:	56313129
Reduced:	FOSN3C23H24 (1)
Stoich.:	ABCD3E23F24 (1)
Weight, g/mol:	415.118833
ΔH_f, kcal/mol:	-12.74
Dipole, Da:	4.29
IP(EA), eV:	-8.98(-1.06)
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-thiophen-2-yl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations