Geometry & MOs

Info

ID:	33942
PubChem CID:	7888917
Reduced:	OSN4C19H24 (1)
Stoich.:	ABC4D19E24 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-4.74
Dipole, Da:	3.73
IP(EA), eV:	-8.86(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C5N4C=CC=C5

DOS

IR

Vibrations