Geometry & MOs

Info

ID:	283717
PubChem CID:	104001180
Reduced:	SN2O4C11H22 (1)
Stoich.:	AB2C4D11E22 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	-186.77
Dipole, Da:	3.72
IP(EA), eV:	-8.59(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2,2-dimethylcyclopropyl)methylcarbamoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCS(=O)CCNC(=O)N[C@@H](CC(C)C)C(=O)O

DOS

IR

Vibrations