Geometry & MOs

Info

ID:	346335
PubChem CID:	127270839
Reduced:	SO2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	383.141596
ΔH_f, kcal/mol:	-62.81
Dipole, Da:	2.71
IP(EA), eV:	-9.51(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-oxo-N-(3-propyl-1,2,4-thiadiazol-5-yl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NSC(=N1)NC(=O)C2CC3CCCC(C2)C3=O

DOS

IR

Vibrations