Geometry & MOs

Info

ID:	155351
PubChem CID:	56352942
Reduced:	ClSO2N3C21H24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	457.10723
ΔH_f, kcal/mol:	-60.9
Dipole, Da:	2.7
IP(EA), eV:	-9.08(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(S2)C(=O)N3CCCN(CC3)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations