Geometry & MOs

Info

ID:	407785
PubChem CID:	135080540
Reduced:	ClFSO2N3H7C10 (1)
Stoich.:	ABCD2E3F7G10 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-53.92
Dipole, Da:	6.15
IP(EA), eV:	-9.06(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-methyl-4-oxo-3,5-dihydro-2H-1-benzazepine-5-carboxylate

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)S(=O)(=O)NC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations