Geometry & MOs

Info

ID:	154231
PubChem CID:	56313637
Reduced:	FOS2N4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	375.178062
ΔH_f, kcal/mol:	-3.48
Dipole, Da:	5.27
IP(EA), eV:	-8.56(-0.92)
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-propyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC2=C(S1)C=C(S2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations