Geometry & MOs

Info

ID:	330455
PubChem CID:	127247859
Reduced:	N4O5C15H22 (1)
Stoich.:	A4B5C15D22 (1)
Weight, g/mol:	343.100205
ΔH_f, kcal/mol:	-161.19
Dipole, Da:	3.3
IP(EA), eV:	-9.68(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-(3-fluorophenyl)sulfonyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC(C1)C(=O)N)C(=O)CCC2=CC(=NO2)OC

DOS

IR

Vibrations