Geometry & MOs

Info

ID:	429274
PubChem CID:	135169178
Reduced:	SN2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	491.28964
ΔH_f, kcal/mol:	3.72
Dipole, Da:	2.8
IP(EA), eV:	-8.65(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-2-N-(2-methylphenyl)-4-oxoazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CN=CC=C1)NSC(C)(C)C

DOS

IR

Vibrations