Geometry & MOs

Info

ID:	80846
PubChem CID:	49846576
Reduced:	ClSN2O5C24H27 (1)
Stoich.:	ABC2D5E24F27 (1)
Weight, g/mol:	407.145676
ΔH_f, kcal/mol:	-157.42
Dipole, Da:	6.43
IP(EA), eV:	-9.56(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methoxymethyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(CC1=NN=C(S1)CC2=C(C=CC(=C2)C3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)C4=CC=CC=C4

DOS

IR

Vibrations