Geometry & MOs

Info

ID:	30973
PubChem CID:	854020
Reduced:	NSO2C10H17 (1)
Stoich.:	ABC2D10E17 (1)
Weight, g/mol:	160.084792
ΔH_f, kcal/mol:	-92.64
Dipole, Da:	5.92
IP(EA), eV:	-9.89(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(carbamoylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1([C@@H]2CC[C@]13CS(=O)(=O)N[C@@H]3C2)C

DOS

IR

Vibrations