Geometry & MOs

Info

ID:	197539
PubChem CID:	78975622
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	272.173607
ΔH_f, kcal/mol:	-121.26
Dipole, Da:	7.53
IP(EA), eV:	-9.34(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C=CC(=O)N[C@H](CC(C)C)C(=O)O

DOS

IR

Vibrations