Geometry & MOs

Info

ID:	68150
PubChem CID:	46507839
Reduced:	O2S3N5C21H27 (1)
Stoich.:	A2B3C5D21E27 (1)
Weight, g/mol:	351.121906
ΔH_f, kcal/mol:	-32.99
Dipole, Da:	4.14
IP(EA), eV:	-8.7(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(N=C(S2)N3CCC(CC3)C)N=C1SCC(=O)NCC4=CC=CS4

DOS

IR

Vibrations