Geometry & MOs

Info

ID:	147221
PubChem CID:	53786875
Reduced:	SO3C7H8 (1)
Stoich.:	AB3C7D8 (1)
Weight, g/mol:	548.113044
ΔH_f, kcal/mol:	-95.75
Dipole, Da:	2.42
IP(EA), eV:	-8.76(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-[2-[(5-chloro-1H-imidazole-2-carbonyl)amino]-1-phenylcyclopropanecarbonyl]-2-phenylcyclopropyl]-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CSC=C1OCCC(=O)O

DOS

IR

Vibrations