Geometry & MOs

Info

ID:	243437
PubChem CID:	99222792
Reduced:	SO2N6C16H26 (1)
Stoich.:	AB2C6D16E26 (1)
Weight, g/mol:	460.172225
ΔH_f, kcal/mol:	-46.21
Dipole, Da:	4.89
IP(EA), eV:	-9.48(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1CCCC1)NC(=O)CSC2=NN=NN2C3CCCC3

DOS

IR

Vibrations