Geometry & MOs

Info

ID:	60214
PubChem CID:	26675914
Reduced:	SN3O6C21H21 (1)
Stoich.:	AB3C6D21E21 (1)
Weight, g/mol:	480.102493
ΔH_f, kcal/mol:	-144.35
Dipole, Da:	8.15
IP(EA), eV:	-9.36(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-(4-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=NOC(=C2)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations