Geometry & MOs

Info

ID:	43246
PubChem CID:	10320127
Reduced:	SiO3N5C16H27 (1)
Stoich.:	AB3C5D16E27 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	-138.34
Dipole, Da:	3.33
IP(EA), eV:	-8.97(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3aS,5aR,9aS)-2-benzyl-4-butyl-7-methoxy-3-oxo-5,5a-dihydro-1H-pyrrolo[3,4-i]isoindole-3a-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)O

DOS

IR

Vibrations