Geometry & MOs

Info

ID:	323475
PubChem CID:	126674932
Reduced:	SO4F5N5C22H28 (1)
Stoich.:	AB4C5D5E22F28 (1)
Weight, g/mol:	495.22704
ΔH_f, kcal/mol:	-362.7
Dipole, Da:	9.52
IP(EA), eV:	-8.96(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(1S)-2-[[4-(4-formylphenyl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(F)(F)(F)(F)F)NC(=O)NC2CCC(CC2)OC3=NC(=NC=C3)N4CCOCC4

DOS

IR

Vibrations