Geometry & MOs

Info

ID:	60197
PubChem CID:	26675887
Reduced:	SN2O5H24C25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	402.124943
ΔH_f, kcal/mol:	-138.26
Dipole, Da:	3.8
IP(EA), eV:	-8.7(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(cyclopropylamino)-2-oxoethyl]-(4-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC3=CC=CC=C32)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations