Geometry & MOs

Info

ID:	64294
PubChem CID:	29198958
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	444.031348
ΔH_f, kcal/mol:	-100.53
Dipole, Da:	4.97
IP(EA), eV:	-8.63(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCS(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)N4CCOCC4

DOS

IR

Vibrations