Geometry & MOs

Info

ID:	63296
PubChem CID:	26750518
Reduced:	SN3O5C23H29 (1)
Stoich.:	AB3C5D23E29 (1)
Weight, g/mol:	440.080885
ΔH_f, kcal/mol:	-155.41
Dipole, Da:	7.13
IP(EA), eV:	-9.1(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[4-chloro-3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(=O)NNC(=O)CCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations