Geometry & MOs

Info

ID:	430981
PubChem CID:	135171051
Reduced:	OSN4C25H28 (1)
Stoich.:	ABC4D25E28 (1)
Weight, g/mol:	503.278407
ΔH_f, kcal/mol:	32.19
Dipole, Da:	4.24
IP(EA), eV:	-8.68(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(2,3-dihydro-1H-inden-1-yl)-N-[5-[ethyl(1H-indole-2-carbonyl)amino]oxan-3-yl]carbamate

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations