Geometry & MOs

Info

ID:	429351
PubChem CID:	135169325
Reduced:	SN3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	518.225323
ΔH_f, kcal/mol:	30.21
Dipole, Da:	3.42
IP(EA), eV:	-8.61(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-pyridin-3-ylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC=NC2=C1SC(C2)C3=NC(=CC=C3)C(C)(C)C

DOS

IR

Vibrations