Geometry & MOs

Info

ID:	449393
PubChem CID:	135298242
Reduced:	ClNOC16H20 (1)
Stoich.:	ABCD16E20 (1)
Weight, g/mol:	511.250478
ΔH_f, kcal/mol:	-54.65
Dipole, Da:	5.67
IP(EA), eV:	-8.55(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-[(1R)-1-(5-ethylsulfonylpyridin-2-yl)-2-hydroxyethyl]-2-[(4-methylcyclohexyl)methyl]indole-5-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)(CC2=CC3=C(N2)C=CC(=C3)Cl)O

DOS

IR

Vibrations