Geometry & MOs

Info

ID:	65392
PubChem CID:	29214846
Reduced:	S2O3N10C19H26 (1)
Stoich.:	A2B3C10D19E26 (1)
Weight, g/mol:	316.133554
ΔH_f, kcal/mol:	26.17
Dipole, Da:	6.35
IP(EA), eV:	-9.2(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations