Geometry & MOs

Info

ID:	430326
PubChem CID:	135170390
Reduced:	ClFSO3N5C15H15 (1)
Stoich.:	ABCD3E5F15G15 (1)
Weight, g/mol:	482.160198
ΔH_f, kcal/mol:	-82.29
Dipole, Da:	6.73
IP(EA), eV:	-9.25(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S)-2-[[3-ethyl-5-(trifluoromethyl)pyrazin-2-yl]amino]-4,4-difluorocyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CN1C(=O)C3=NNN=C3)S(=O)(=O)C4=C(C(=CC=C4)Cl)F

DOS

IR

Vibrations