Geometry & MOs

Info

ID:	365791
PubChem CID:	127318516
Reduced:	NSO3C13H23 (1)
Stoich.:	ABC3D13E23 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-166.87
Dipole, Da:	8.5
IP(EA), eV:	-10.14(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1CCCC1)NC(=O)C2CCS(=O)(=O)CC2

DOS

IR

Vibrations