Geometry & MOs

Info

ID:	33958
PubChem CID:	7888996
Reduced:	OSN4C17H24 (1)
Stoich.:	ABC4D17E24 (1)
Weight, g/mol:	312.111007
ΔH_f, kcal/mol:	-7.37
Dipole, Da:	2.75
IP(EA), eV:	-9.0(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)[C@@H](C)SC2=NN=C3N2C=CC=C3

DOS

IR

Vibrations