Geometry & MOs

Info

ID:	60199
PubChem CID:	26675889
Reduced:	SN2O5C27H30 (1)
Stoich.:	AB2C5D27E30 (1)
Weight, g/mol:	430.156243
ΔH_f, kcal/mol:	-162.05
Dipole, Da:	9.18
IP(EA), eV:	-8.78(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)CN(C2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations