Geometry & MOs

Info

ID:	223609
PubChem CID:	85335304
Reduced:	O2S2N6C21H26 (1)
Stoich.:	A2B2C6D21E26 (1)
Weight, g/mol:	455.124798
ΔH_f, kcal/mol:	0.62
Dipole, Da:	5.05
IP(EA), eV:	-8.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[4-[[1-[(4-chlorophenyl)methyl]imidazol-2-yl]methoxy]phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1CC(NN1)C2=C3C(=CC=C2)N=C(N=C3N)SC4=CC=C(C=C4)NS(=O)(=O)C(C)C

DOS

IR

Vibrations