Geometry & MOs

Info

ID:	429390
PubChem CID:	135169413
Reduced:	OF2N2C10H16 (1)
Stoich.:	AB2C2D10E16 (1)
Weight, g/mol:	549.256289
ΔH_f, kcal/mol:	-118.72
Dipole, Da:	2.89
IP(EA), eV:	-8.84(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-[(2-aminopyridin-4-yl)methyl]-1-[[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]amino]-hydroxymethyl]-N-(4-methoxyphenyl)-N-methyl-4-oxoazetidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=C(F)F)N2CCOCC2

DOS

IR

Vibrations