Geometry & MOs

Info

ID:	429328
PubChem CID:	135169297
Reduced:	IOSN4H13C18 (1)
Stoich.:	ABCD4E13F18 (1)
Weight, g/mol:	491.28964
ΔH_f, kcal/mol:	79.76
Dipole, Da:	5.59
IP(EA), eV:	-9.22(-2.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[(2-amino-6-methylpyridin-4-yl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

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CNC(=O)C1=CC2=C(N=C1)N(C=C2C3=CC4=C(C=C3)N=CC=C4)SI

DOS

IR

Vibrations