Geometry & MOs

Info

ID:	415317
PubChem CID:	135088311
Reduced:	SO2N5C19H19 (1)
Stoich.:	AB2C5D19E19 (1)
Weight, g/mol:	372.12407
ΔH_f, kcal/mol:	43.02
Dipole, Da:	3.6
IP(EA), eV:	-9.05(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-chlorofuran-2-carbonyl)-1,4-diazepan-1-yl]-(2,3-dihydro-1H-inden-1-yl)methanone

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=CC=CC=C3C4=NNN=N4)C5=C1C=CS5

DOS

IR

Vibrations