Geometry & MOs

Info

ID:	223554
PubChem CID:	85335224
Reduced:	O2N6C23H32 (1)
Stoich.:	A2B6C23D32 (1)
Weight, g/mol:	424.130218
ΔH_f, kcal/mol:	-3.04
Dipole, Da:	2.76
IP(EA), eV:	-8.63(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(4-chlorophenyl)-1,3-benzoxazol-4-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)CNC2=NC(=O)C3C(=N2)N=CN3CCCCN4CCOCC4)C

DOS

IR

Vibrations