Geometry & MOs

Info

ID:	63942
PubChem CID:	26759525
Reduced:	S2N3O5C21H29 (1)
Stoich.:	A2B3C5D21E29 (1)
Weight, g/mol:	368.137222
ΔH_f, kcal/mol:	-187.56
Dipole, Da:	3.22
IP(EA), eV:	-9.04(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N(CC)CC

DOS

IR

Vibrations