Geometry & MOs

Info

ID:	429216
PubChem CID:	135169085
Reduced:	OBr2N2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	480.259737
ΔH_f, kcal/mol:	1.02
Dipole, Da:	4.17
IP(EA), eV:	-8.72(-1.76)
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-4-oxo-2-N-(1,3,5-triazin-2-yl)azetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1CBr)N(CC2=CC=C(C=C2)OC)Br

DOS

IR

Vibrations