Geometry & MOs

Info

ID:	130623
PubChem CID:	51091790
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	320.184841
ΔH_f, kcal/mol:	-80.37
Dipole, Da:	4.61
IP(EA), eV:	-8.79(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-N-[2-oxo-2-[[3-oxo-3-(pyridin-2-ylamino)propyl]amino]ethyl]butanamide

Drug info:

PubChemData

Smile

CCSC1=NC=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)OC)O

DOS

IR

Vibrations