Geometry & MOs

Info

ID:	213795
PubChem CID:	81064985
Reduced:	ClSN2O3C12H25 (1)
Stoich.:	ABC2D3E12F25 (1)
Weight, g/mol:	295.116821
ΔH_f, kcal/mol:	-160.51
Dipole, Da:	3.86
IP(EA), eV:	-9.6(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-cyclopropyl-4-nitropyrrole-2-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)OCCN(C)S(=O)(=O)N1CCCCC1CCl

DOS

IR

Vibrations