Geometry & MOs

Info

ID:	220073
PubChem CID:	85165210
Reduced:	S2Si2O3C35H56 (1)
Stoich.:	A2B2C3D35E56 (1)
Weight, g/mol:	645.341401
ΔH_f, kcal/mol:	-228.0
Dipole, Da:	1.35
IP(EA), eV:	-8.54(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-adamantyl 4-[(2-benzamido-3-methylpentanoyl)amino]-5-oxo-5-[(2-oxo-2-phenylmethoxyethyl)amino]pentanoate

Drug info:

PubChemData

Smile

CC1(CCC(C(C1C2SCCCS2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CO

DOS

IR

Vibrations