Geometry & MOs

Info

ID:	14798
PubChem CID:	420812
Reduced:	SN2O3C29H34 (1)
Stoich.:	AB2C3D29E34 (1)
Weight, g/mol:	490.229014
ΔH_f, kcal/mol:	-77.03
Dipole, Da:	0.67
IP(EA), eV:	-8.93(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-amino-3-tritylsulfanylpropanoyl)amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N

DOS

IR

Vibrations