Geometry & MOs

Info

ID:	168514
PubChem CID:	74981653
Reduced:	FO4C24H33 (1)
Stoich.:	AB4C24D33 (1)
Weight, g/mol:	477.183461
ΔH_f, kcal/mol:	-156.34
Dipole, Da:	7.81
IP(EA), eV:	-9.4(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminopyrimidin-5-yl)-N-cyclopentyl-N-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-ynamide

Drug info:

PubChemData

Smile

CC12CCC(CC1=CC(=O)C3C2CCC4(C3CC(C4=O)F)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations