Geometry & MOs

Info

ID:	143299
PubChem CID:	53182709
Reduced:	SO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	365.120941
ΔH_f, kcal/mol:	-11.87
Dipole, Da:	7.08
IP(EA), eV:	-8.74(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=C(C=C2)NC(=O)C3CC3)SC4=C(C1=O)C=CC=N4

DOS

IR

Vibrations