Geometry & MOs

Info

ID:	299729
PubChem CID:	117688923
Reduced:	S2O3N4C22H30 (1)
Stoich.:	A2B3C4D22E30 (1)
Weight, g/mol:	184.121178
ΔH_f, kcal/mol:	-101.83
Dipole, Da:	4.42
IP(EA), eV:	-8.9(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-cyanoethylamino)-2,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CCSC1=CN=C(C=C1)CC(=O)NC2=NC3=C(S2)CN([C@H]3C(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations