Geometry & MOs

Info

ID:	297741
PubChem CID:	117628461
Reduced:	S2N3O3H13C16 (1)
Stoich.:	A2B3C3D13E16 (1)
Weight, g/mol:	298.150427
ΔH_f, kcal/mol:	15.88
Dipole, Da:	8.11
IP(EA), eV:	-8.88(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2R)-3-methyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C=CN3S(=O)(=O)C4=CC=CS4)N=C2

DOS

IR

Vibrations