Geometry & MOs

Info

ID:	370983
PubChem CID:	127341693
Reduced:	SN4O4C17H20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	346.109962
ΔH_f, kcal/mol:	-92.7
Dipole, Da:	4.32
IP(EA), eV:	-9.22(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

Drug info:

PubChemData

Smile

C1CN2C=CN=C2CN1S(=O)(=O)C3=CC=C(C=C3)C(=O)N4CCOCC4

DOS

IR

Vibrations