Geometry & MOs

Info

ID:	68144
PubChem CID:	46507830
Reduced:	FSO2N3C26H28 (1)
Stoich.:	ABC2D3E26F28 (1)
Weight, g/mol:	320.95715
ΔH_f, kcal/mol:	-54.28
Dipole, Da:	8.49
IP(EA), eV:	-8.26(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromothiophen-2-yl)-3,5-dihydropyrido[2,3-b][1,4]diazepin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)SC2=NN=C(C=C2)N3CCC(CC3)C(=O)OCC4=CC(=CC=C4)F

DOS

IR

Vibrations