Geometry & MOs

Info

ID:	353397
PubChem CID:	127284773
Reduced:	FSN3O3C19H28 (1)
Stoich.:	ABC3D3E19F28 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	-163.09
Dipole, Da:	5.54
IP(EA), eV:	-8.58(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methylpyridin-2-yl)methyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCCC1C(=O)N2CCCC(C2)NS(=O)(=O)C3=CC=CC(=C3)F

DOS

IR

Vibrations