Geometry & MOs

Info

ID:	172822
PubChem CID:	75556873
Reduced:	SN3O3H23C27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	353.00251
ΔH_f, kcal/mol:	35.27
Dipole, Da:	5.59
IP(EA), eV:	-8.69(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-N-[(1-methylpyrrol-3-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C3C(=O)N4C(=NC(=N4)C5=CC=CC=C5C)S3)OC

DOS

IR

Vibrations