Geometry & MOs

Info

ID:	60204
PubChem CID:	26675898
Reduced:	SN3O5H21C24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	498.146072
ΔH_f, kcal/mol:	-104.84
Dipole, Da:	11.98
IP(EA), eV:	-9.22(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]-(4-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations