Geometry & MOs

Info

ID:	187647
PubChem CID:	77603868
Reduced:	ClNO5C27H32 (1)
Stoich.:	ABC5D27E32 (1)
Weight, g/mol:	548.281882
ΔH_f, kcal/mol:	-205.86
Dipole, Da:	9.68
IP(EA), eV:	-9.16(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[tert-butyl(dimethyl)silyl]oxy-1-[2-(4-ethoxyphenyl)-1,3-benzoxazol-4-yl]pentan-3-yl]imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC(=C1)C2=CC=C(C=C2)CCNC(C)C(C3=CC=C(C=C3)O)O)C(=O)O.Cl

DOS

IR

Vibrations