Geometry & MOs

Info

ID:	201080
PubChem CID:	79486958
Reduced:	ClSN3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	50.88
Dipole, Da:	4.71
IP(EA), eV:	-9.2(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC(CC1=CC=CS1)N(C)C2=CC(=NC=N2)Cl

DOS

IR

Vibrations