Geometry & MOs

Info

ID:	77404
PubChem CID:	48428591
Reduced:	BrFOSN3C15H15 (1)
Stoich.:	ABCDE3F15G15 (1)
Weight, g/mol:	418.068881
ΔH_f, kcal/mol:	-23.88
Dipole, Da:	3.86
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=C(C=C(C=C2)Br)F)C3=NC=CS3

DOS

IR

Vibrations