Geometry & MOs

Info

ID:	336030
PubChem CID:	127255037
Reduced:	N3O5C27H27 (1)
Stoich.:	A3B5C27D27 (1)
Weight, g/mol:	644.16746
ΔH_f, kcal/mol:	-131.07
Dipole, Da:	4.22
IP(EA), eV:	-9.01(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'R,2'S,3R)-1'-(4-bromobenzoyl)-2'-(4-pentylbenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC(=CC=C3)OC4=CC=CC=C4)O

DOS

IR

Vibrations