Geometry & MOs

Info

ID:	182487
PubChem CID:	76894053
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	262.135114
ΔH_f, kcal/mol:	-151.17
Dipole, Da:	1.21
IP(EA), eV:	-8.76(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

C1C(NC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)O

DOS

IR

Vibrations