Geometry & MOs

Info

ID:	61097
PubChem CID:	26705663
Reduced:	SO2N6H20C21 (1)
Stoich.:	AB2C6D20E21 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	24.71
Dipole, Da:	3.94
IP(EA), eV:	-8.67(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)N3CCCN(C4=NC5=CC=CC=C5N=C43)C

DOS

IR

Vibrations