Geometry & MOs

Info

ID:	49776
PubChem CID:	11533814
Reduced:	BrClO2N4H24C25 (1)
Stoich.:	ABC2D4E24F25 (1)
Weight, g/mol:	527.288712
ΔH_f, kcal/mol:	39.13
Dipole, Da:	3.44
IP(EA), eV:	-8.73(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,2S,3R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[dimethyl(phenyl)silyl]-3-(4-methoxyanilino)pent-4-enoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)CCC2=C(C=C(C=C2Br)Cl)CCC3=CC=C(C=C3)C4=NNN=N4)OC

DOS

IR

Vibrations