Geometry & MOs

Info

ID:	222085
PubChem CID:	85293852
Reduced:	N2S2O9C22H38 (1)
Stoich.:	A2B2C9D22E38 (1)
Weight, g/mol:	538.271043
ΔH_f, kcal/mol:	-455.6
Dipole, Da:	5.74
IP(EA), eV:	-9.03(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[3-[tert-butyl(dimethyl)silyl]oxy-1-[(1-hydroxy-3-methoxy-3-oxo-1-phenylpropan-2-yl)amino]-1-oxobutan-2-yl]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)CSCC(C(CSC2C(CC(C(C2O)O)O)C(=O)NC(CC(=O)O)C(=O)N)O)O

DOS

IR

Vibrations