Geometry & MOs

Info

ID:	60213
PubChem CID:	26675913
Reduced:	N2S2O5C22H22 (1)
Stoich.:	A2B2C5D22E22 (1)
Weight, g/mol:	443.115107
ΔH_f, kcal/mol:	-138.65
Dipole, Da:	6.64
IP(EA), eV:	-9.16(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-(4-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CS2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations