Geometry & MOs

Info

ID:	218342
PubChem CID:	85089205
Reduced:	ClSO3N4C21H27 (1)
Stoich.:	ABC3D4E21F27 (1)
Weight, g/mol:	450.207406
ΔH_f, kcal/mol:	-94.08
Dipole, Da:	6.69
IP(EA), eV:	-8.36(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-benzyl-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]but-2-enoate

Drug info:

PubChemData

Smile

CCCC(C(=O)NCC1CCN(CC1)C2=CC=NC=C2)OC(=O)NC3=CC=C(S3)Cl

DOS

IR

Vibrations