Geometry & MOs

Info

ID:	123618
PubChem CID:	50856031
Reduced:	SN3O3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	338.082205
ΔH_f, kcal/mol:	-52.63
Dipole, Da:	5.57
IP(EA), eV:	-8.65(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-[(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]benzoic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(N3C)C)/C(=O)NC2=S

DOS

IR

Vibrations