Geometry & MOs

Info

ID:	135527
PubChem CID:	51886710
Reduced:	SN3O4C19H31 (1)
Stoich.:	AB3C4D19E31 (1)
Weight, g/mol:	379.213401
ΔH_f, kcal/mol:	-170.1
Dipole, Da:	4.55
IP(EA), eV:	-8.54(0.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-[[(3aS)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carbonyl]amino]-1-phenylethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)N2CCN(CC2)CC3=C(C=C(C(=C3)C)C)O

DOS

IR

Vibrations