Geometry & MOs

Info

ID:	336187
PubChem CID:	127255194
Reduced:	N3O5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	594.06128
ΔH_f, kcal/mol:	-189.35
Dipole, Da:	6.81
IP(EA), eV:	-8.39(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'S,2'S,3R,3'aR)-2'-(4-bromobenzoyl)-5'-methyl-1'-(thiophene-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C(=O)CCC(=O)N3CCNC(=O)C3)OC

DOS

IR

Vibrations