Geometry & MOs

Info

ID:	191608
PubChem CID:	78168435
Reduced:	N2O2C15H22 (1)
Stoich.:	A2B2C15D22 (1)
Weight, g/mol:	612.085731
ΔH_f, kcal/mol:	-80.94
Dipole, Da:	2.27
IP(EA), eV:	-8.96(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-[2-[[5-[2-fluoro-5-(trifluoromethyl)phenyl]pyridin-3-yl]oxymethyl]morpholin-4-yl]sulfonyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1NC)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations