Geometry & MOs

Info

ID:	397376
PubChem CID:	135030128
Reduced:	NO4C29H29 (1)
Stoich.:	AB4C29D29 (1)
Weight, g/mol:	407.209658
ΔH_f, kcal/mol:	-123.87
Dipole, Da:	3.36
IP(EA), eV:	-9.21(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-5-methyl-3-(4-methylphenyl)-2-oxo-3-(3-oxobutyl)indole-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)CC[C@]1(C2=CC=CC=C2N(C1=O)C(=O)OC(C)(C)C)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations