Geometry & MOs

Info

ID:	189331
PubChem CID:	77841541
Reduced:	SN2O6C13H16 (1)
Stoich.:	AB2C6D13E16 (1)
Weight, g/mol:	362.151158
ΔH_f, kcal/mol:	-222.23
Dipole, Da:	4.31
IP(EA), eV:	-9.36(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-[[1-(hydroxymethoxy)-1-oxo-2-(2,2,4,4-tetramethylthietan-3-yl)propan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CC(NC(=O)C1)CC2=C(N3C(S2)C(C3=O)CO)OC(=O)O

DOS

IR

Vibrations