Geometry & MOs

Info

ID:	141509
PubChem CID:	52885755
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	313.082934
ΔH_f, kcal/mol:	-74.6
Dipole, Da:	6.13
IP(EA), eV:	-9.49(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-amino-2-chlorobenzoate

Drug info:

PubChemData

Smile

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations