Geometry & MOs

Info

ID:	63510
PubChem CID:	26758519
Reduced:	SN4O4C23H28 (1)
Stoich.:	AB4C4D23E28 (1)
Weight, g/mol:	328.123463
ΔH_f, kcal/mol:	-110.6
Dipole, Da:	5.95
IP(EA), eV:	-9.18(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)C2=NN(C(=O)CC2)C3=CC=CC(=C3)C

DOS

IR

Vibrations