Geometry & MOs

Info

ID:	225424
PubChem CID:	85786730
Reduced:	SO3N4C11H18 (1)
Stoich.:	AB3C4D11E18 (1)
Weight, g/mol:	318.136828
ΔH_f, kcal/mol:	-79.5
Dipole, Da:	9.38
IP(EA), eV:	-9.54(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(3-methylphenyl)-3-(pyrrole-1-carbonyl)benzamide

Drug info:

PubChemData

Smile

C=CCN1C(=NN=C1SCC(C(=O)O)N)CCCO

DOS

IR

Vibrations