Geometry & MOs

Info

ID:	34297
PubChem CID:	7890667
Reduced:	SN2O6C18H26 (1)
Stoich.:	AB2C6D18E26 (1)
Weight, g/mol:	398.151158
ΔH_f, kcal/mol:	-252.45
Dipole, Da:	4.49
IP(EA), eV:	-9.68(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

DOS

IR

Vibrations