Geometry & MOs

Info

ID:	218254
PubChem CID:	85089094
Reduced:	ClN2O6C21H31 (1)
Stoich.:	AB2C6D21E31 (1)
Weight, g/mol:	442.148177
ΔH_f, kcal/mol:	-227.23
Dipole, Da:	1.72
IP(EA), eV:	-8.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-[(3-methylthiophen-2-yl)methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCN1CC2CN(CC(C1)C2OC(=O)C3=CC(=C(C=C3OCOC)Cl)OCOC)C

DOS

IR

Vibrations