Geometry & MOs

Info

ID:	336141
PubChem CID:	127255148
Reduced:	O4N5C26H29 (1)
Stoich.:	A4B5C26D29 (1)
Weight, g/mol:	578.116398
ΔH_f, kcal/mol:	-76.59
Dipole, Da:	4.46
IP(EA), eV:	-8.36(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'S,2'S,3R,3'aR)-1'-benzoyl-2'-(2,4-dichlorobenzoyl)-8'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCCC3=NC(=NO3)C4=CC=C(C=C4)N(C)C)C(=O)N)C5=CC=CC=C5O2

DOS

IR

Vibrations