Geometry & MOs

Info

ID:	153164
PubChem CID:	56312312
Reduced:	FO2N4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	355.151847
ΔH_f, kcal/mol:	-89.34
Dipole, Da:	5.56
IP(EA), eV:	-8.29(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations