Geometry & MOs

Info

ID:	157194
PubChem CID:	56422380
Reduced:	BrO3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	425.140927
ΔH_f, kcal/mol:	-92.23
Dipole, Da:	12.74
IP(EA), eV:	-8.48(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4E)-1-(3-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-2-yl]sulfanylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=NN=C(C=C2)N3CCCC3)Br

DOS

IR

Vibrations