Geometry & MOs

Info

ID:	217673
PubChem CID:	85088196
Reduced:	SO2N6H12C19 (1)
Stoich.:	AB2C6D12E19 (1)
Weight, g/mol:	388.163436
ΔH_f, kcal/mol:	168.92
Dipole, Da:	8.02
IP(EA), eV:	-9.01(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxoprop-1-enyl]-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=NC3=NN4C5C(=NC(=N5)C6=CC=CS6)C(=O)N=C4C3=CC2C=C1

DOS

IR

Vibrations