Geometry & MOs

Info

ID:	33952
PubChem CID:	7888970
Reduced:	S2N4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	366.121572
ΔH_f, kcal/mol:	129.11
Dipole, Da:	6.1
IP(EA), eV:	-8.75(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)CSC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations