Geometry & MOs

Info

ID:	37810
PubChem CID:	8024726
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-28.99
Dipole, Da:	6.49
IP(EA), eV:	-8.84(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations