Geometry & MOs

Info

ID:	203255
PubChem CID:	79801532
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	258.194343
ΔH_f, kcal/mol:	-135.55
Dipole, Da:	7.81
IP(EA), eV:	-9.31(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C(=O)O)NC(=O)NC1CCCC2=C1C=CS2

DOS

IR

Vibrations