Geometry & MOs

Info

ID:	218549
PubChem CID:	85089606
Reduced:	SSeO4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	479.237998
ΔH_f, kcal/mol:	-125.74
Dipole, Da:	7.78
IP(EA), eV:	-9.14(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O[Se]2(CC34CCC(C3(C)C)CC4O2)C5=CC=CC=C5

DOS

IR

Vibrations