Geometry & MOs

Info

ID:	34300
PubChem CID:	7890675
Reduced:	SN2O6H16C18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	397.130757
ΔH_f, kcal/mol:	-148.54
Dipole, Da:	4.29
IP(EA), eV:	-9.19(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC2=NC=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations