Geometry & MOs

Info

ID:	218605
PubChem CID:	85089675
Reduced:	BrSiO2C26H31 (1)
Stoich.:	ABC2D26E31 (1)
Weight, g/mol:	483.236936
ΔH_f, kcal/mol:	-94.43
Dipole, Da:	5.01
IP(EA), eV:	-9.18(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[[2-benzyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoylamino]propanoate

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1C(CC2O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)Br

DOS

IR

Vibrations