Geometry & MOs

Info

ID:	77403
PubChem CID:	48428590
Reduced:	OSN5C20H31 (1)
Stoich.:	ABC5D20E31 (1)
Weight, g/mol:	383.01032
ΔH_f, kcal/mol:	-10.26
Dipole, Da:	4.27
IP(EA), eV:	-8.69(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-fluorophenyl)-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCCN(CC2)C3=NC=CS3

DOS

IR

Vibrations