Geometry & MOs

Info

ID:	143300
PubChem CID:	53182953
Reduced:	FSN3O3C17H20 (1)
Stoich.:	ABC3D3E17F20 (1)
Weight, g/mol:	365.120941
ΔH_f, kcal/mol:	-130.59
Dipole, Da:	8.12
IP(EA), eV:	-9.13(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-(2-fluoro-4-methylphenyl)-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-8-sulfonamide

Drug info:

PubChemData

Smile

CCN1CCCN2C=C(C=C2C1=O)S(=O)(=O)NC3=CC(=C(C=C3)F)C

DOS

IR

Vibrations