Geometry & MOs

Info

ID:	150177
PubChem CID:	53789864
Reduced:	NSO3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	439.142947
ΔH_f, kcal/mol:	-85.54
Dipole, Da:	6.98
IP(EA), eV:	-9.63(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,4-dichloro-5-(2,5-dihydroxy-3-prop-1-en-2-ylpyrrol-1-yl)anilino]-N-(3-methylbutyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=CS(=O)(=O)N=C=O)C

DOS

IR

Vibrations