Geometry & MOs

Info

ID:	128602
PubChem CID:	51051651
Reduced:	ClN2O2C11H23 (1)
Stoich.:	AB2C2D11E23 (1)
Weight, g/mol:	328.211055
ΔH_f, kcal/mol:	-163.69
Dipole, Da:	2.88
IP(EA), eV:	-8.69(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R,4R)-3-(1-acetamido-2-ethylbutyl)-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN[C@H](CN1C(=O)OC(C)(C)C)C.Cl

DOS

IR

Vibrations