Geometry & MOs

Info

ID:	192543
PubChem CID:	78284130
Reduced:	BrN2O3C18H28 (1)
Stoich.:	AB2C3D18E28 (1)
Weight, g/mol:	451.032431
ΔH_f, kcal/mol:	-95.99
Dipole, Da:	4.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762400
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3,4-dichlorophenyl)methylidene]-1-(2-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-ethylacetamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)C(C)[NH+](C)CC2=C(C=CC(=C2)Br)OC

DOS

IR

Vibrations