Geometry & MOs

Info

ID:	46429
PubChem CID:	10524383
Reduced:	NO4H23C24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-90.49
Dipole, Da:	4.8
IP(EA), eV:	-9.56(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6S,6aS)-6-(1H-indol-3-yl)-11-oxo-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations