Geometry & MOs

Info

ID:	33940
PubChem CID:	7888910
Reduced:	S2O3N5C16H17 (1)
Stoich.:	A2B3C5D16E17 (1)
Weight, g/mol:	359.096914
ΔH_f, kcal/mol:	-39.85
Dipole, Da:	11.13
IP(EA), eV:	-9.05(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1CSC2=NN=C3N2C=CC=C3)C(=O)NC)N

DOS

IR

Vibrations