Geometry & MOs

Info

ID:	43235
PubChem CID:	10320032
Reduced:	ClFSO2N3C20H21 (1)
Stoich.:	ABCD2E3F20G21 (1)
Weight, g/mol:	421.155705
ΔH_f, kcal/mol:	-103.13
Dipole, Da:	4.78
IP(EA), eV:	-9.3(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[2-(cyclopropylamino)-5-methylpyridin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C1C3CCC(C4=C3SC=C4)N)F)C(=O)NC(=O)N2C5CC5.Cl

DOS

IR

Vibrations