Geometry & MOs

Info

ID:	197878
PubChem CID:	79009315
Reduced:	SN3O5C12H19 (1)
Stoich.:	AB3C5D12E19 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-199.93
Dipole, Da:	9.1
IP(EA), eV:	-10.06(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2-tert-butylphenyl)carbamoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NS(=O)(=O)C1=CN(C(=C1)C(=O)NC)C

DOS

IR

Vibrations