Geometry & MOs

Info

ID:	302764
PubChem CID:	124394838
Reduced:	ON3C23H25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	497.04088
ΔH_f, kcal/mol:	37.12
Dipole, Da:	4.42
IP(EA), eV:	-8.51(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-5-[[4-(2,5-dimethylpyrrol-1-yl)phenoxy]methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)C)/C=C(/C#N)\C2=NC3=C(N2)C=C(C=C3)C)C(C)C

DOS

IR

Vibrations