Geometry & MOs

Info

ID:	393284
PubChem CID:	135019932
Reduced:	N3O7C34H59 (1)
Stoich.:	A3B7C34D59 (1)
Weight, g/mol:	362.147786
ΔH_f, kcal/mol:	-345.88
Dipole, Da:	7.19
IP(EA), eV:	-8.62(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (3S,3aS,9aR)-3-butyl-2-oxo-3a,9a-dihydro-3H-furo[3,2-b]quinoxaline-4,9-dicarboxylate

Drug info:

PubChemData

Smile

CCC1[C@H](C(C([C@H](O1)OCC2[C@H](C(C([C@H](O2)OCCOCCOCCNC(=O)CCN(C)C3=CC=NC=C3)C)C)C)C)C)C

DOS

IR

Vibrations