Geometry & MOs

Info

ID:	227410
PubChem CID:	87561710
Reduced:	SN2F4O5H12C14 (1)
Stoich.:	AB2C4D5E12F14 (1)
Weight, g/mol:	312.151703
ΔH_f, kcal/mol:	-330.27
Dipole, Da:	5.8
IP(EA), eV:	-9.53(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-9-cyclohexyl-7-fluoro-5,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]diazepine

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(=C1)OS(=O)(=O)C(F)(F)F)C2=C(C=C(C=C2)C)F

DOS

IR

Vibrations