Geometry & MOs

Info

ID:	208554
PubChem CID:	80543812
Reduced:	OSN3C11H19 (1)
Stoich.:	ABC3D11E19 (1)
Weight, g/mol:	230.163043
ΔH_f, kcal/mol:	-31.8
Dipole, Da:	4.16
IP(EA), eV:	-9.32(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-2-methylbutanoyl)amino]-2-ethylbutanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN(C)C(=O)C(C)CCN

DOS

IR

Vibrations