Geometry & MOs

Info

ID:	43715
PubChem CID:	10321688
Reduced:	NSiO5C25H31 (1)
Stoich.:	ABC5D25E31 (1)
Weight, g/mol:	453.143236
ΔH_f, kcal/mol:	-143.87
Dipole, Da:	5.74
IP(EA), eV:	-8.93(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[(4-methylphenyl)methylsulfanyl]-2-[[(2S)-2-(naphthalen-1-ylmethyl)-3-sulfanylpropanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=C(C(CC2=O)O[Si](C)(C)C(C)(C)C)C3=CC=C(C=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations