Geometry & MOs

Info

ID:	49339
PubChem CID:	11532873
Reduced:	SO2N4H24C27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	468.262422
ΔH_f, kcal/mol:	68.58
Dipole, Da:	3.73
IP(EA), eV:	-8.8(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,12bR)-1-(3-ethoxy-3-oxopropyl)-1-ethyl-4-oxo-3,6,7,12b-tetrahydro-2H-indolo[2,3-a]quinolizine-12-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=C/C=C/C4=CC=CC=C4)C

DOS

IR

Vibrations