Geometry & MOs

Info

ID:	139028
PubChem CID:	52461774
Reduced:	ClO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	290.13789
ΔH_f, kcal/mol:	-54.67
Dipole, Da:	10.81
IP(EA), eV:	-9.28(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@@H]1C(=O)NC2=CC(=C(C=C2)C#N)Cl

DOS

IR

Vibrations