Geometry & MOs

Info

ID:	36698
PubChem CID:	8011397
Reduced:	SO2N3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	328.04226
ΔH_f, kcal/mol:	-14.76
Dipole, Da:	1.66
IP(EA), eV:	-8.66(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(3-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC4=C5C(=C3)CC(=O)N5CCC4

DOS

IR

Vibrations